1-Chloro-1-methylcyclohexane
TL;DR: 1-Chloro-1-methylcyclohexane (CAS 931-78-2) is a chemical compound with molecular formula CC1(CCCCC1)Cl and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-methylcyclohexane
Also Known As: 1-Chloro-1-methylcyclohexane, 1-methylcyclohexyl chloride, 1-chloro-1-methyl-cyclohexane, 2-methyl-2-chlorocyclohexane, Cyclohexane,1-chloro-1-methyl-
| Molecular Formula | CC1(CCCCC1)Cl |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07057 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 931-78-2 |
|---|---|
| SMILES | CC1(CCCCC1)Cl |
| InChIKey | OGYBTPYJHQSBBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1-methylcyclohexane (CAS 931-78-2), with molecular formula CC1(CCCCC1)Cl and molecular weight 132.07 g/mol. IUPAC: 1-chloro-1-methylcyclohexane.
Chemical Property Profile of 1-Chloro-1-methylcyclohexane
Property Insights of 1-Chloro-1-methylcyclohexane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1-methylcyclohexane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1-methylcyclohexane 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 1-Chloro-1-methylcyclohexane?
The CAS number of 1-Chloro-1-methylcyclohexane is 931-78-2.
What is the molecular formula of 1-Chloro-1-methylcyclohexane?
The molecular formula of 1-Chloro-1-methylcyclohexane is CC1(CCCCC1)Cl.
What is the molecular weight of 1-Chloro-1-methylcyclohexane?
The molecular weight of 1-Chloro-1-methylcyclohexane is 132.07 g/mol.
Where can I buy 1-Chloro-1-methylcyclohexane?
You can request a quote for 1-Chloro-1-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.