Butylvinylacetylene
TL;DR: Butylvinylacetylene (CAS 57188-93-9) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-3-en-1-yne
Also Known As: butylvinylacetylene, 3-Octen-1-yne, 3-Octen-1-yne, (E)-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 57188-93-9 |
|---|---|
| SMILES | CCCCC=CC#C |
| InChIKey | FCNAWUZWKZOHKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylvinylacetylene (CAS 57188-93-9), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: oct-3-en-1-yne.
Chemical Property Profile of Butylvinylacetylene
Property Insights of Butylvinylacetylene
The XLogP value of 3.1 indicates that Butylvinylacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Butylvinylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylvinylacetylene 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 Butylvinylacetylene?
The CAS number of Butylvinylacetylene is 57188-93-9.
What is the molecular formula of Butylvinylacetylene?
The molecular formula of Butylvinylacetylene is C8H12.
What is the molecular weight of Butylvinylacetylene?
The molecular weight of Butylvinylacetylene is 108.09 g/mol.
Where can I buy Butylvinylacetylene?
You can request a quote for Butylvinylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylvinylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Butylvinylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.