3-(1-Methylethyl)cyclohexene
TL;DR: 3-(1-Methylethyl)cyclohexene (CAS 3983-08-2) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylcyclohexene
Also Known As: 3-isopropylcyclohexene, 3-Isopropyl-1-cyclohexene, Tetrahydrocumol, 3-(1-Methylethyl)cyclohexene, 3-Isopropylcyclohexene-1
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 3983-08-2 |
|---|---|
| SMILES | CC(C)C1CCCC=C1 |
| InChIKey | HKZXDFQIKRFLMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Methylethyl)cyclohexene (CAS 3983-08-2), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 3-propan-2-ylcyclohexene.
Chemical Property Profile of 3-(1-Methylethyl)cyclohexene
Property Insights of 3-(1-Methylethyl)cyclohexene
The XLogP value of 3.6 indicates that 3-(1-Methylethyl)cyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(1-Methylethyl)cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylethyl)cyclohexene has 0 hydrogen bond donor(s) and 0 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 3-(1-Methylethyl)cyclohexene?
The CAS number of 3-(1-Methylethyl)cyclohexene is 3983-08-2.
What is the molecular formula of 3-(1-Methylethyl)cyclohexene?
The molecular formula of 3-(1-Methylethyl)cyclohexene is C9H16.
What is the molecular weight of 3-(1-Methylethyl)cyclohexene?
The molecular weight of 3-(1-Methylethyl)cyclohexene is 124.13 g/mol.
Where can I buy 3-(1-Methylethyl)cyclohexene?
You can request a quote for 3-(1-Methylethyl)cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methylethyl)cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methylethyl)cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.