6-Methyl-5-hepten-2-one
TL;DR: 6-Methyl-5-hepten-2-one (CAS 110-93-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylhept-5-en-2-one
Also Known As: Sulcatone, 6-METHYL-5-HEPTEN-2-ONE, 6-Methylhept-5-en-2-one, Methylheptenone, METHYL HEPTENONE
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
| Melting Point | FP: -67.1 °C |
| Boiling Point | 173 °C @ 760 MM HG |
| Density | 0.8546 @ 16 °C |
| Solubility | INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER |
| Flash Point | 57.2 °C (57 °C) |
| Vapor Pressure | 0.75 [mmHg] |
| Refractive Index | 1.4445 @ 20 °C; SADTLER REF NUMBER: 1645 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 110-93-0 |
|---|---|
| SMILES | CC(=CCCC(=O)C)C |
| InChIKey | UHEPJGULSIKKTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-5-hepten-2-one (CAS 110-93-0), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 6-methylhept-5-en-2-one.
Chemical Property Profile of 6-Methyl-5-hepten-2-one
Property Insights of 6-Methyl-5-hepten-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-5-hepten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methyl-5-hepten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-5-hepten-2-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 6-Methyl-5-hepten-2-one?
The CAS number of 6-Methyl-5-hepten-2-one is 110-93-0.
What is the molecular formula of 6-Methyl-5-hepten-2-one?
The molecular formula of 6-Methyl-5-hepten-2-one is C8H14O.
What is the molecular weight of 6-Methyl-5-hepten-2-one?
The molecular weight of 6-Methyl-5-hepten-2-one is 126.10 g/mol.
Where can I buy 6-Methyl-5-hepten-2-one?
You can request a quote for 6-Methyl-5-hepten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-5-hepten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-5-hepten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.