3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-
TL;DR: 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- (CAS 87128-93-6) is a chemical compound with molecular formula C10H17ClO and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloropropan-2-yl)-4-methylcyclohex-3-en-1-ol
Also Known As: 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-, 1-(2-chloropropan-2-yl)-4-methylcyclohex-3-en-1-ol, (+/-)-4-Methyl-(1-(1-chloro-1-methylethyl))-3-cyclohexen-1-ol, (+/-)-4-Methyl-1-(1-chloro-1-methylethyl)-3-cyclohexen-1-ol
| Molecular Formula | C10H17ClO |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09679 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 87128-93-6 |
|---|---|
| SMILES | CC1=CCC(CC1)(C(C)(C)Cl)O |
| InChIKey | VGSSKNUDSMPAFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- (CAS 87128-93-6), with molecular formula C10H17ClO and molecular weight 188.10 g/mol. IUPAC: 1-(2-chloropropan-2-yl)-4-methylcyclohex-3-en-1-ol.
Chemical Property Profile of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-
Property Insights of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- has 1 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 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-?
The CAS number of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- is 87128-93-6.
What is the molecular formula of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-?
The molecular formula of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- is C10H17ClO.
What is the molecular weight of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-?
The molecular weight of 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- is 188.10 g/mol.
Where can I buy 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-?
You can request a quote for 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.