Cyclopentanone, 2-(1-methylheptyl)-
TL;DR: Cyclopentanone, 2-(1-methylheptyl)- (CAS 54549-91-6) 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-octan-2-ylcyclopentan-1-one
Also Known As: 2-(1-Methylheptyl)cyclopentanone, Cyclopentanone, 2-(1-methylheptyl)-, 2-(Octan-2-yl)cyclopentan-1-one, 2-octan-2-ylcyclopentan-1-one, 2-(1-Methylheptyl)cyclopentanone #
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 54549-91-6 |
|---|---|
| SMILES | CCCCCCC(C)C1CCCC1=O |
| InChIKey | VFGXVQOCGXKXDW-UHFFFAOYSA-N |
Product Overview
Cyclopentanone, 2-(1-methylheptyl)- (CAS 54549-91-6), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 2-octan-2-ylcyclopentan-1-one.
Chemical Property Profile of Cyclopentanone, 2-(1-methylheptyl)-
Property Insights of Cyclopentanone, 2-(1-methylheptyl)-
The XLogP value of 4.5 indicates that Cyclopentanone, 2-(1-methylheptyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclopentanone, 2-(1-methylheptyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanone, 2-(1-methylheptyl)- 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 Cyclopentanone, 2-(1-methylheptyl)-?
The CAS number of Cyclopentanone, 2-(1-methylheptyl)- is 54549-91-6.
What is the molecular formula of Cyclopentanone, 2-(1-methylheptyl)-?
The molecular formula of Cyclopentanone, 2-(1-methylheptyl)- is C13H24O.
What is the molecular weight of Cyclopentanone, 2-(1-methylheptyl)-?
The molecular weight of Cyclopentanone, 2-(1-methylheptyl)- is 196.18 g/mol.
Where can I buy Cyclopentanone, 2-(1-methylheptyl)-?
You can request a quote for Cyclopentanone, 2-(1-methylheptyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanone, 2-(1-methylheptyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanone, 2-(1-methylheptyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.