Isopropenylacetylene
TL;DR: Isopropenylacetylene (CAS 78-80-8) is a chemical compound with molecular formula C5H6 and molecular weight 66.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-1-en-3-yne
Also Known As: Isopropenylacetylene, 2-Methyl-1-buten-3-yne, 2-Methylbut-1-en-3-yne, Valylene, 3-Methyl-3-buten-1-yne
| Molecular Formula | C5H6 |
|---|---|
| Molecular Weight | 66.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 66.04695 |
| Heavy Atoms | 5 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 78-80-8 |
|---|---|
| SMILES | CC(=C)C#C |
| InChIKey | BOFLDKIFLIFLJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropenylacetylene (CAS 78-80-8), with molecular formula C5H6 and molecular weight 66.05 g/mol. IUPAC: 2-methylbut-1-en-3-yne.
Chemical Property Profile of Isopropenylacetylene
Property Insights of Isopropenylacetylene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropenylacetylene. With a topological polar surface area (TPSA) of 0.0 Ų, Isopropenylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropenylacetylene 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 Isopropenylacetylene?
The CAS number of Isopropenylacetylene is 78-80-8.
What is the molecular formula of Isopropenylacetylene?
The molecular formula of Isopropenylacetylene is C5H6.
What is the molecular weight of Isopropenylacetylene?
The molecular weight of Isopropenylacetylene is 66.05 g/mol.
Where can I buy Isopropenylacetylene?
You can request a quote for Isopropenylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropenylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Isopropenylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.