ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate
ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate structure
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Common Name | ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate | ||
|---|---|---|---|---|
| CAS Number | 87696-65-9 | Molecular Weight | 226.31200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H22O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate |
|---|---|
| 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 | C13H22O3 |
|---|---|
| Molecular Weight | 226.31200 |
| Exact Mass | 226.15700 |
| PSA | 43.37000 |
| LogP | 2.89120 |
| InChIKey | OJEDVJOYZZPQPD-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)=C(C)CC(=O)C(C)(C)C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~25%
ethyl 2,3,6,6-t... CAS#:87696-65-9
Learn More
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| Literature: Albaugh-Robertson, Pamela; Katzenellenbogen, John A. Journal of Organic Chemistry, 1983 , vol. 48, # 26 p. 5288 - 5302 |
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~%
ethyl 2,3,6,6-t... CAS#:87696-65-9 |
| Literature: Albaugh-Robertson, Pamela; Katzenellenbogen, John A. Journal of Organic Chemistry, 1983 , vol. 48, # 26 p. 5288 - 5302 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Heptenoic acid,2,3,6,6-tetramethyl-5-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 SMILES notation of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: SMILES notation of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is CCOC(=O)C(C)=C(C)CC(=O)C(C)(C)C. |
| Q: What is the English name of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: The English name of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate. |
| Q: What is the molecular formula of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: Molecular formula of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is C13H22O3. |
| Q: What is the CAS number of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: CAS number of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is 87696-65-9. |
| Q: What are the upstream materials of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: Related upstream materials(CAS) of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate: 3282-30-2;87696-58-0;82343-39-3. |
| Q: What is the molecular weight of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: Molecular weight of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is 226.31200. |
| Q: What is the InChIKey of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: InChIKey of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is OJEDVJOYZZPQPD-UHFFFAOYSA-N. |
| Q: What is the LogP of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: LogP of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is 2.89120. |
| Q: What is the polar surface area (PSA) of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate? |
| A: Polar surface area (PSA) of ethyl 2,3,6,6-tetramethyl-5-oxohept-2-enoate is 43.37000. |
| Q: What is the Chinese name of 87696-65-9? |
| A: Chinese name of 87696-65-9 is 87696-65-9. |