3-Butylcyclohex-2-en-1-one
TL;DR: 3-Butylcyclohex-2-en-1-one (CAS 6961-92-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylcyclohex-2-en-1-one
Also Known As: 3-butylcyclohex-2-en-1-one, 3-Butylcyclohexenone, 3-butyl-2-cyclohexen-1-one, 3-butylcyclohex-2-enone, 3-butyl-cyclohex-2-en-1-one
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 6961-92-8 |
|---|---|
| SMILES | CCCCC1=CC(=O)CCC1 |
| InChIKey | SJYRTKPGUIZRFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butylcyclohex-2-en-1-one (CAS 6961-92-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 3-butylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Butylcyclohex-2-en-1-one
Property Insights of 3-Butylcyclohex-2-en-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Butylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butylcyclohex-2-en-1-one 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 3-Butylcyclohex-2-en-1-one?
The CAS number of 3-Butylcyclohex-2-en-1-one is 6961-92-8.
What is the molecular formula of 3-Butylcyclohex-2-en-1-one?
The molecular formula of 3-Butylcyclohex-2-en-1-one is C10H16O.
What is the molecular weight of 3-Butylcyclohex-2-en-1-one?
The molecular weight of 3-Butylcyclohex-2-en-1-one is 152.12 g/mol.
Where can I buy 3-Butylcyclohex-2-en-1-one?
You can request a quote for 3-Butylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.