2-Cyclohexen-1-one, 3-(4-pentynyl)-
TL;DR: 2-Cyclohexen-1-one, 3-(4-pentynyl)- (CAS 136408-25-8) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pent-4-ynylcyclohex-2-en-1-one
Also Known As: 3-pent-4-ynylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-(4-pentynyl)-, 3-(4-Pentynyl)-2-cyclohexen-1-one, 2-Cyclohexen-1-one,3-(4-pentynyl), 3-(PENT-4-YN-1-YL)CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.4693 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 229.87889 |
Chemical Identifiers
| CAS Number | 136408-25-8 |
|---|---|
| SMILES | C#CCCCC1=CC(=O)CCC1 |
Product Overview
2-Cyclohexen-1-one, 3-(4-pentynyl)- (CAS 136408-25-8), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-pent-4-ynylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-(4-pentynyl)-
Property Insights of 2-Cyclohexen-1-one, 3-(4-pentynyl)-
The XLogP value of 2.4693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-(4-pentynyl)-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Cyclohexen-1-one, 3-(4-pentynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-(4-pentynyl)- 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-Cyclohexen-1-one, 3-(4-pentynyl)-?
The CAS number of 2-Cyclohexen-1-one, 3-(4-pentynyl)- is 136408-25-8.
What is the molecular formula of 2-Cyclohexen-1-one, 3-(4-pentynyl)-?
The molecular formula of 2-Cyclohexen-1-one, 3-(4-pentynyl)- is C11H14O.
What is the molecular weight of 2-Cyclohexen-1-one, 3-(4-pentynyl)-?
The molecular weight of 2-Cyclohexen-1-one, 3-(4-pentynyl)- is 162.10 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-(4-pentynyl)-?
You can request a quote for 2-Cyclohexen-1-one, 3-(4-pentynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-(4-pentynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-(4-pentynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.