3-Methyl-2-octanone
TL;DR: 3-Methyl-2-octanone (CAS 6137-08-2) 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.
3-methyloctan-2-one
Also Known As: 3-Methyloctan-2-one, 2-Octanone, 3-methyl-, 3-METHYL-2-OCTANONE, 2-Pentylbutan-3-one, 3-methyl-octan-2-one
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 3.0 |
| 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 | 6137-08-2 |
|---|---|
| SMILES | CCCCCC(C)C(=O)C |
| InChIKey | XSWHAOGCTCBDIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-octanone (CAS 6137-08-2), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 3-methyloctan-2-one.
Chemical Property Profile of 3-Methyl-2-octanone
Property Insights of 3-Methyl-2-octanone
The XLogP value of 3.0 indicates that 3-Methyl-2-octanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-2-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methyl-2-octanone?
The CAS number of 3-Methyl-2-octanone is 6137-08-2.
What is the molecular formula of 3-Methyl-2-octanone?
The molecular formula of 3-Methyl-2-octanone is C9H18O.
What is the molecular weight of 3-Methyl-2-octanone?
The molecular weight of 3-Methyl-2-octanone is 142.14 g/mol.
Where can I buy 3-Methyl-2-octanone?
You can request a quote for 3-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 3-Methyl-2-octanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.