5-Methyl-2-octanone
TL;DR: 5-Methyl-2-octanone (CAS 58654-67-4) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyloctan-2-one
Also Known As: 5-Methyl-2-octanone, 5-Methyloctan-2-one, Methyloctanone, 2-OCTANONE, 5-METHYL-, 4-methylheptylketone
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 58654-67-4 |
|---|---|
| SMILES | CCCC(C)CCC(=O)C |
| InChIKey | UPVLGOPSYZTLGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-octanone (CAS 58654-67-4), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 5-methyloctan-2-one.
Chemical Property Profile of 5-Methyl-2-octanone
Property Insights of 5-Methyl-2-octanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-octanone. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-2-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-octanone 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-Methyl-2-octanone?
The CAS number of 5-Methyl-2-octanone is 58654-67-4.
What is the molecular formula of 5-Methyl-2-octanone?
The molecular formula of 5-Methyl-2-octanone is C9H18O.
What is the molecular weight of 5-Methyl-2-octanone?
The molecular weight of 5-Methyl-2-octanone is 142.14 g/mol.
Where can I buy 5-Methyl-2-octanone?
You can request a quote for 5-Methyl-2-octanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-octanone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.