3-Chloro-3-ethylpent-1-yne
TL;DR: 3-Chloro-3-ethylpent-1-yne (CAS 6080-79-1) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-3-ethylpent-1-yne
Also Known As: 3-chloro-3-ethylpent-1-yne, 3-chloro-3-ethyl-1-pentyne, 3-chloro-3-ethyl-pent-1-yne, 1-pentyne, 3-chloro-3-ethyl-, J2.125.652H
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 6080-79-1 |
|---|---|
| SMILES | CCC(CC)(C#C)Cl |
| InChIKey | GLWBJWHQYVZAMB-UHFFFAOYSA-N |
Product Overview
3-Chloro-3-ethylpent-1-yne (CAS 6080-79-1), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 3-chloro-3-ethylpent-1-yne.
Chemical Property Profile of 3-Chloro-3-ethylpent-1-yne
Property Insights of 3-Chloro-3-ethylpent-1-yne
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-3-ethylpent-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-3-ethylpent-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-ethylpent-1-yne has 0 hydrogen bond donor(s) and 0 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-Chloro-3-ethylpent-1-yne?
The CAS number of 3-Chloro-3-ethylpent-1-yne is 6080-79-1.
What is the molecular formula of 3-Chloro-3-ethylpent-1-yne?
The molecular formula of 3-Chloro-3-ethylpent-1-yne is C7H11Cl.
What is the molecular weight of 3-Chloro-3-ethylpent-1-yne?
The molecular weight of 3-Chloro-3-ethylpent-1-yne is 130.05 g/mol.
Where can I buy 3-Chloro-3-ethylpent-1-yne?
You can request a quote for 3-Chloro-3-ethylpent-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-ethylpent-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-ethylpent-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.