ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate
ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate structure
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Common Name | ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 80348-45-4 | Molecular Weight | 210.27000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H18O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate (Chinese name: 乙基2,4,4-三甲基-6-氧杂环己烯-1-甲酸酯, CAS number: 80348-45-4, molecular formula: C12H18O3, molecular weight: 210.27000), For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.27000 |
| Exact Mass | 210.12600 |
| PSA | 43.37000 |
| LogP | 2.25510 |
| InChIKey | PNTFDQIRZYXUOF-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=C(C)CC(C)(C)CC1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~43%
ethyl 2,4,4-tri... CAS#:80348-45-4 |
| Literature: Liu, Cong; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6343 - 6352 |
|
~31%
ethyl 2,4,4-tri... CAS#:80348-45-4 |
| Literature: Richardson, B. Matthew; Welker, Mark E. Journal of Organic Chemistry, 1997 , vol. 62, # 5 p. 1299 - 1304 |
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~%
ethyl 2,4,4-tri... CAS#:80348-45-4 |
| Literature: Liu, Cong; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6343 - 6352 |
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~%
ethyl 2,4,4-tri... CAS#:80348-45-4 |
| Literature: Liu, Cong; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6343 - 6352 |
|
~%
ethyl 2,4,4-tri... CAS#:80348-45-4 |
| Literature: Liu, Cong; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6343 - 6352 |
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~%
Detail
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| Literature: Andreeva, L. N.; Perlova, T. G.; Negrebetskii, V. V.; Dymova, S. F.; Koroleva, T. I.; et al. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 9 p. 1800 - 1801 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 9 p. 2017 - 2018 |
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~%
Detail
Learn More
|
| Literature: Andreeva, L. N.; Perlova, T. G.; Negrebetskii, V. V.; Dymova, S. F.; Koroleva, T. I.; et al. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 9 p. 1800 - 1801 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 9 p. 2017 - 2018 |
|
~%
Detail
Learn More
|
| Literature: Andreeva, L. N.; Perlova, T. G.; Negrebetskii, V. V.; Dymova, S. F.; Koroleva, T. I.; et al. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 9 p. 1800 - 1801 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 9 p. 2017 - 2018 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-carboethoxy-3,5,5-trimethyl-2-cyclohexenone |
| ethyl 2,2,4-trimethyl-6-oxo-1-cyclohexene-1-carboxylate |
| 1-Cyclohexene-1-carboxylic acid,2,4,4-trimethyl-6-oxo-,ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: Molecular weight of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is 210.27000. |
| Q: What is the CAS number of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: CAS number of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is 80348-45-4. |
| Q: What is the English name of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: The English name of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate. |
| Q: What is the InChIKey of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: InChIKey of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is PNTFDQIRZYXUOF-UHFFFAOYSA-N. |
| Q: What is the molecular formula of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: Molecular formula of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is C12H18O3. |
| Q: What is the polar surface area (PSA) of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: Polar surface area (PSA) of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is 43.37000. |
| Q: What are the upstream materials of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate: 835597-67-6;638-10-8;6802-75-1;32119-46-3;86549-23-7;15543-64-3;124-41-4. |
| Q: What is the SMILES notation of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: SMILES notation of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is CCOC(=O)C1=C(C)CC(C)(C)CC1=O. |
| Q: What is the LogP of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate? |
| A: LogP of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate is 2.25510. |
| Q: What English synonyms does ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate have? |
| A: English synonyms of ethyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate: 2-carboethoxy-3,5,5-trimethyl-2-cyclohexenone, ethyl 2,2,4-trimethyl-6-oxo-1-cyclohexene-1-carboxylate, 1-Cyclohexene-1-carboxylic acid,2,4,4-trimethyl-6-oxo-,ethyl ester. |