3-Isopropylcyclohexanol
TL;DR: 3-Isopropylcyclohexanol (CAS 4534-77-4) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylcyclohexan-1-ol
Also Known As: 3-isopropylcyclohexanol, 3-Isopropyl-cyclohexanol, 3-propan-2-ylcyclohexan-1-ol
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 4534-77-4 |
|---|---|
| SMILES | CC(C)C1CCCC(C1)O |
| InChIKey | WMLDVNFSAVPBBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropylcyclohexanol (CAS 4534-77-4), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 3-propan-2-ylcyclohexan-1-ol.
Chemical Property Profile of 3-Isopropylcyclohexanol
Property Insights of 3-Isopropylcyclohexanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Isopropylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropylcyclohexanol 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-Isopropylcyclohexanol?
The CAS number of 3-Isopropylcyclohexanol is 4534-77-4.
What is the molecular formula of 3-Isopropylcyclohexanol?
The molecular formula of 3-Isopropylcyclohexanol is C9H18O.
What is the molecular weight of 3-Isopropylcyclohexanol?
The molecular weight of 3-Isopropylcyclohexanol is 142.14 g/mol.
Where can I buy 3-Isopropylcyclohexanol?
You can request a quote for 3-Isopropylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.