3,3-dimethylhex-5-enal
3,3-dimethylhex-5-enal structure
|
Common Name | 3,3-dimethylhex-5-enal | ||
|---|---|---|---|---|
| CAS Number | 39482-40-1 | Molecular Weight | 126.19600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C8H14O | 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 | 3,3-dimethylhex-5-enal |
|---|---|
| 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 | C8H14O |
|---|---|
| Molecular Weight | 126.19600 |
| Exact Mass | 126.10400 |
| PSA | 17.07000 |
| LogP | 2.17770 |
| InChIKey | KJQUCRKOALWQCH-UHFFFAOYSA-N |
| SMILES | C=CCC(C)(C)CC=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~65%
3,3-dimethylhex... CAS#:39482-40-1 |
| Literature: Fan, Xiaohui; Zhuo, Lian-Gang; Tu, Yong Qiang; Yu, Zhi-Xiang Tetrahedron, 2009 , vol. 65, # 24 p. 4709 - 4713 |
|
~85%
3,3-dimethylhex... CAS#:39482-40-1 |
| Literature: Evans, P. Andrew; Inglesby, Phillip A.; Kilbride, Kathryn Organic Letters, 2013 , vol. 15, # 8 p. 1798 - 1801 |
|
~%
3,3-dimethylhex... CAS#:39482-40-1 |
| Literature: Pattenden; Teague Tetrahedron, 1987 , vol. 43, # 23 p. 5637 - 5652 |
|
~%
3,3-dimethylhex... CAS#:39482-40-1 |
| Literature: Clavette, Christian; Vincent Rocan, Jean-Francois; Beauchemin, Andre M. Angewandte Chemie - International Edition, 2013 , vol. 52, # 48 p. 12705 - 12708 Angew. Chem., 2013 , vol. 125, # 48 p. 12937 - 12940,4 |
|
~%
3,3-dimethylhex... CAS#:39482-40-1 |
| Literature: Korotvicka, Ales; Hybelbauerova, Simona; Kotora, Martin Synlett, 2009 , # 15 p. 2445 - 2448 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
CAS#:86549-18-0
CAS#:89618-86-0
CAS#:92611-63-7This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Hexenal,3,3-dimethyl |
| 3,3-Dimethyl-5-hexenal |
| 3,3-dimethyl-5-hexen-1-al |
| 3,3-dimethylhex-5-en-1-al |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3,3-dimethylhex-5-enal? |
| A: InChIKey of 3,3-dimethylhex-5-enal is KJQUCRKOALWQCH-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3,3-dimethylhex-5-enal? |
| A: CAS number of 3,3-dimethylhex-5-enal is 39482-40-1. |
| Q: What is the LogP of 3,3-dimethylhex-5-enal? |
| A: LogP of 3,3-dimethylhex-5-enal is 2.17770. |
| Q: What are the downstream products of 3,3-dimethylhex-5-enal? |
| A: Related downstream products(CAS) of 3,3-dimethylhex-5-enal: 86549-18-0;89618-86-0;92611-63-7. |
| Q: What is the polar surface area (PSA) of 3,3-dimethylhex-5-enal? |
| A: Polar surface area (PSA) of 3,3-dimethylhex-5-enal is 17.07000. |
| Q: What are the upstream materials of 3,3-dimethylhex-5-enal? |
| A: Related upstream materials(CAS) of 3,3-dimethylhex-5-enal: 5497-67-6;33670-32-5;4009-98-7;3420-42-6;86549-24-8. |
| Q: What English synonyms does 3,3-dimethylhex-5-enal have? |
| A: English synonyms of 3,3-dimethylhex-5-enal: 5-Hexenal,3,3-dimethyl, 3,3-Dimethyl-5-hexenal, 3,3-dimethyl-5-hexen-1-al, 3,3-dimethylhex-5-en-1-al. |
| Q: What is the SMILES notation of 3,3-dimethylhex-5-enal? |
| A: SMILES notation of 3,3-dimethylhex-5-enal is C=CCC(C)(C)CC=O. |
| Q: What is the English name of 3,3-dimethylhex-5-enal? |
| A: The English name of 3,3-dimethylhex-5-enal is 3,3-dimethylhex-5-enal. |
| Q: What is the molecular formula of 3,3-dimethylhex-5-enal? |
| A: Molecular formula of 3,3-dimethylhex-5-enal is C8H14O. |