2-Octylcyclopentanone
TL;DR: 2-Octylcyclopentanone (CAS 40566-23-2) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylcyclopentan-1-one
Also Known As: 2-Octylcyclopentanone, 2-Octylcyclopentan-1-one, Cyclopentanone, 2-octyl-, a-octylcyclopentanone, 2-octyl-cyclopentanone
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 40566-23-2 |
|---|---|
| SMILES | CCCCCCCCC1CCCC1=O |
| InChIKey | ODOOFOASCWLNKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octylcyclopentanone (CAS 40566-23-2), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 2-octylcyclopentan-1-one.
Chemical Property Profile of 2-Octylcyclopentanone
Property Insights of 2-Octylcyclopentanone
The XLogP value of 4.6 indicates that 2-Octylcyclopentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Octylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octylcyclopentanone 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-Octylcyclopentanone?
The CAS number of 2-Octylcyclopentanone is 40566-23-2.
What is the molecular formula of 2-Octylcyclopentanone?
The molecular formula of 2-Octylcyclopentanone is C13H24O.
What is the molecular weight of 2-Octylcyclopentanone?
The molecular weight of 2-Octylcyclopentanone is 196.18 g/mol.
Where can I buy 2-Octylcyclopentanone?
You can request a quote for 2-Octylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Octylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.