2-Cyclohexylcyclohexanone
TL;DR: 2-Cyclohexylcyclohexanone (CAS 90-42-6) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylcyclohexan-1-one
Also Known As: 2-Cyclohexylcyclohexanone, Lavamenthe, Bicyclohexanone, 2-Cyclohexyl cyclohexanone, Cyclohexanone, 2-cyclohexyl-
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 90-42-6 |
|---|---|
| SMILES | C1CCC(CC1)C2CCCCC2=O |
| InChIKey | UOBQDYFTAJKQAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexylcyclohexanone (CAS 90-42-6), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 2-cyclohexylcyclohexan-1-one.
Chemical Property Profile of 2-Cyclohexylcyclohexanone
Property Insights of 2-Cyclohexylcyclohexanone
The XLogP value of 3.7 indicates that 2-Cyclohexylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexylcyclohexanone has 0 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 2-Cyclohexylcyclohexanone?
The CAS number of 2-Cyclohexylcyclohexanone is 90-42-6.
What is the molecular formula of 2-Cyclohexylcyclohexanone?
The molecular formula of 2-Cyclohexylcyclohexanone is C12H20O.
What is the molecular weight of 2-Cyclohexylcyclohexanone?
The molecular weight of 2-Cyclohexylcyclohexanone is 180.15 g/mol.
Where can I buy 2-Cyclohexylcyclohexanone?
You can request a quote for 2-Cyclohexylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.