2-sec-Butyl cyclohexanone
TL;DR: 2-sec-Butyl cyclohexanone (CAS 14765-30-1) 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-butan-2-ylcyclohexan-1-one
Also Known As: 2-sec-Butylcyclohexanone, 2-(sec-Butyl)cyclohexanone, Freskomenthe, frescomenthe, 2-sec-Butylcyclohexan-1-one
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| Boiling Point | 76.00 to 78.00 °C. @ 8.00 mm Hg |
| Density | 0.911-0.917 |
| Solubility | 566 mg/L @ 20 °C (exp) |
| Refractive Index | 1.454-1.461 |
Chemical Identifiers
| CAS Number | 14765-30-1 |
|---|---|
| SMILES | CCC(C)C1CCCCC1=O |
| InChIKey | RQXTZKGDMNIWJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-sec-Butyl cyclohexanone (CAS 14765-30-1), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2-butan-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-sec-Butyl cyclohexanone
Property Insights of 2-sec-Butyl cyclohexanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sec-Butyl cyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-sec-Butyl cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-sec-Butyl cyclohexanone 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-sec-Butyl cyclohexanone?
The CAS number of 2-sec-Butyl cyclohexanone is 14765-30-1.
What is the molecular formula of 2-sec-Butyl cyclohexanone?
The molecular formula of 2-sec-Butyl cyclohexanone is C10H18O.
What is the molecular weight of 2-sec-Butyl cyclohexanone?
The molecular weight of 2-sec-Butyl cyclohexanone is 154.14 g/mol.
Where can I buy 2-sec-Butyl cyclohexanone?
You can request a quote for 2-sec-Butyl cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sec-Butyl cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-sec-Butyl cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.