1-Penten-3-yne, 2-methyl-
TL;DR: 1-Penten-3-yne, 2-methyl- (CAS 926-55-6) is a chemical compound with molecular formula CC#CC(=C)C and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpent-1-en-3-yne
Also Known As: 2-methylpent-1-en-3-yne, 2-Methyl-1-penten-3-yne, 1-Penten-3-yne, 2-methyl-, 2-Methyl-1-pentene-3-yne, 2-methyl-pent-1-en-3-yne
| Molecular Formula | CC#CC(=C)C |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 926-55-6 |
|---|---|
| SMILES | CC#CC(=C)C |
| InChIKey | KGIABMDFILVKGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-yne, 2-methyl- (CAS 926-55-6), with molecular formula CC#CC(=C)C and molecular weight 80.06 g/mol. IUPAC: 2-methylpent-1-en-3-yne.
Chemical Property Profile of 1-Penten-3-yne, 2-methyl-
Property Insights of 1-Penten-3-yne, 2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-yne, 2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Penten-3-yne, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-yne, 2-methyl- 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 1-Penten-3-yne, 2-methyl-?
The CAS number of 1-Penten-3-yne, 2-methyl- is 926-55-6.
What is the molecular formula of 1-Penten-3-yne, 2-methyl-?
The molecular formula of 1-Penten-3-yne, 2-methyl- is CC#CC(=C)C.
What is the molecular weight of 1-Penten-3-yne, 2-methyl-?
The molecular weight of 1-Penten-3-yne, 2-methyl- is 80.06 g/mol.
Where can I buy 1-Penten-3-yne, 2-methyl-?
You can request a quote for 1-Penten-3-yne, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-yne, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-yne, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.