5-Methylhexan-3-one
TL;DR: 5-Methylhexan-3-one (CAS 623-56-3) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhexan-3-one
Also Known As: 5-Methylhexan-3-one, ETHYL ISOBUTYL KETONE, 5-Methyl-3-hexanone, Ethylisobutylketone, 3-Hexanone, 5-methyl-
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Boiling Point | 135 °C |
Chemical Identifiers
| CAS Number | 623-56-3 |
|---|---|
| SMILES | CCC(=O)CC(C)C |
| InChIKey | DXVYLFHTJZWTRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylhexan-3-one (CAS 623-56-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 5-methylhexan-3-one.
Chemical Property Profile of 5-Methylhexan-3-one
Property Insights of 5-Methylhexan-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylhexan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methylhexan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhexan-3-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 5-Methylhexan-3-one?
The CAS number of 5-Methylhexan-3-one is 623-56-3.
What is the molecular formula of 5-Methylhexan-3-one?
The molecular formula of 5-Methylhexan-3-one is C7H14O.
What is the molecular weight of 5-Methylhexan-3-one?
The molecular weight of 5-Methylhexan-3-one is 114.10 g/mol.
Where can I buy 5-Methylhexan-3-one?
You can request a quote for 5-Methylhexan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhexan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhexan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.