2-Butylcyclohexanone
TL;DR: 2-Butylcyclohexanone (CAS 1126-18-7) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylcyclohexan-1-one
Also Known As: 2-Butylcyclohexanone, 2-butylcyclohexan-1-one, Cyclohexanone, 2-butyl-, butylcyclohexanone, Cyclohexanone, butyl-
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 1126-18-7 |
|---|---|
| SMILES | CCCCC1CCCCC1=O |
| InChIKey | POYYYXPQBFPUKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butylcyclohexanone (CAS 1126-18-7), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2-butylcyclohexan-1-one.
Chemical Property Profile of 2-Butylcyclohexanone
Property Insights of 2-Butylcyclohexanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylcyclohexanone 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-Butylcyclohexanone?
The CAS number of 2-Butylcyclohexanone is 1126-18-7.
What is the molecular formula of 2-Butylcyclohexanone?
The molecular formula of 2-Butylcyclohexanone is C10H18O.
What is the molecular weight of 2-Butylcyclohexanone?
The molecular weight of 2-Butylcyclohexanone is 154.14 g/mol.
Where can I buy 2-Butylcyclohexanone?
You can request a quote for 2-Butylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.