3-Methylcyclohexene
TL;DR: 3-Methylcyclohexene (CAS 591-48-0) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclohexene
Also Known As: 3-Methylcyclohexene, 3-METHYL-1-CYCLOHEXENE, Cyclohexene, 3-methyl-, 3-Methylcyclohex-1-ene, 3-methyl cyclohexene
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 591-48-0 |
|---|---|
| SMILES | CC1CCCC=C1 |
| InChIKey | UZPWKTCMUADILM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcyclohexene (CAS 591-48-0), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 3-methylcyclohexene.
Chemical Property Profile of 3-Methylcyclohexene
Property Insights of 3-Methylcyclohexene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcyclohexene 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-Methylcyclohexene?
The CAS number of 3-Methylcyclohexene is 591-48-0.
What is the molecular formula of 3-Methylcyclohexene?
The molecular formula of 3-Methylcyclohexene is C7H12.
What is the molecular weight of 3-Methylcyclohexene?
The molecular weight of 3-Methylcyclohexene is 96.09 g/mol.
Where can I buy 3-Methylcyclohexene?
You can request a quote for 3-Methylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.