(5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile
TL;DR: (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile (CAS 484674-80-8) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,2S,5S)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl]acetonitrile
Also Known As: (5-isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile, 2-[(1S,2S,5S)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl]acetonitrile
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.70758 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 287.18707 |
Chemical Identifiers
| CAS Number | 484674-80-8 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@H](CC1=O)C(=C)C)CC#N |
Product Overview
(5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile (CAS 484674-80-8), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 2-[(1S,2S,5S)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl]acetonitrile.
Chemical Property Profile of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile
Property Insights of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile
The XLogP value of 2.70758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile?
The CAS number of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile is 484674-80-8.
What is the molecular formula of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile?
The molecular formula of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile is C12H17NO.
What is the molecular weight of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile?
The molecular weight of (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile is 191.13 g/mol.
Where can I buy (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile?
You can request a quote for (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Isopropenyl-2-methyl-3-oxocyclohexyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.