2-Methyl-cyclooctanone
TL;DR: 2-Methyl-cyclooctanone (CAS 103776-36-9) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylcyclooctan-1-one
Also Known As: 2-Methylcyclooctanone, 2-methylcyclooctan-1-one, 2-Methylcyclooctane, 2-methyl-cyclooctanone, Cyclooctanone, 2-methyl-
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 103776-36-9 |
|---|---|
| SMILES | CC1CCCCCCC1=O |
| InChIKey | MJFJFHJQZCMMKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-cyclooctanone (CAS 103776-36-9), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 2-methylcyclooctan-1-one.
Chemical Property Profile of 2-Methyl-cyclooctanone
Property Insights of 2-Methyl-cyclooctanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-cyclooctanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-cyclooctanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-cyclooctanone 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 2-Methyl-cyclooctanone?
The CAS number of 2-Methyl-cyclooctanone is 103776-36-9.
What is the molecular formula of 2-Methyl-cyclooctanone?
The molecular formula of 2-Methyl-cyclooctanone is C9H16O.
What is the molecular weight of 2-Methyl-cyclooctanone?
The molecular weight of 2-Methyl-cyclooctanone is 140.12 g/mol.
Where can I buy 2-Methyl-cyclooctanone?
You can request a quote for 2-Methyl-cyclooctanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-cyclooctanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-cyclooctanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.