3-Cyclohexen-1-one
TL;DR: 3-Cyclohexen-1-one (CAS 4096-34-8) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohex-3-en-1-one
Also Known As: Cyclohex-3-en-1-one, 3-Cyclohexen-1-one, Cyclohex-3-enone, 3-cyclohexenone, Cyclohexene-4-one
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 4096-34-8 |
|---|---|
| SMILES | C1CC(=O)CC=C1 |
| InChIKey | VNLZLLDMKRKVEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexen-1-one (CAS 4096-34-8), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: cyclohex-3-en-1-one.
Chemical Property Profile of 3-Cyclohexen-1-one
Property Insights of 3-Cyclohexen-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexen-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexen-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-Cyclohexen-1-one?
The CAS number of 3-Cyclohexen-1-one is 4096-34-8.
What is the molecular formula of 3-Cyclohexen-1-one?
The molecular formula of 3-Cyclohexen-1-one is C6H8O.
What is the molecular weight of 3-Cyclohexen-1-one?
The molecular weight of 3-Cyclohexen-1-one is 96.06 g/mol.
Where can I buy 3-Cyclohexen-1-one?
You can request a quote for 3-Cyclohexen-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-Cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.