1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-
TL;DR: 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- (CAS 72845-44-4) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5S)-3,3,5-trimethylcyclohexen-1-yl]acetonitrile
Also Known As: (Trimethylcyclohexenyl)acetonitrile, 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-, 2-[(5S)-3,3,5-trimethylcyclohexen-1-yl]acetonitrile, RefChem:431620
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.28258 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 229.87889 |
Chemical Identifiers
| CAS Number | 72845-44-4 |
|---|---|
| SMILES | C[C@@H]1CC(=CC(C1)(C)C)CC#N |
Product Overview
1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- (CAS 72845-44-4), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 2-[(5S)-3,3,5-trimethylcyclohexen-1-yl]acetonitrile.
Chemical Property Profile of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-
Property Insights of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-
The XLogP value of 3.28258 indicates that 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- has 0 hydrogen bond donor(s) and 1 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 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-?
The CAS number of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- is 72845-44-4.
What is the molecular formula of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-?
The molecular formula of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- is C11H17N.
What is the molecular weight of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-?
The molecular weight of 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- is 163.14 g/mol.
Where can I buy 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-?
You can request a quote for 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-acetonitrile, 3,3,5(or 3,5,5)-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.