2-Hexyne, 5-methyl-
TL;DR: 2-Hexyne, 5-methyl- (CAS 53566-37-3) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhex-2-yne
Also Known As: 5-Methyl-2-hexyne, 2-Hexyne, 5-methyl-, 5-methylhex-2-yne, Methyl isobutylacetylene, Methylisobutyl-acetylen
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 53566-37-3 |
|---|---|
| SMILES | CC#CCC(C)C |
| InChIKey | SVGAHRUSRQTQES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexyne, 5-methyl- (CAS 53566-37-3), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 5-methylhex-2-yne.
Chemical Property Profile of 2-Hexyne, 5-methyl-
Property Insights of 2-Hexyne, 5-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexyne, 5-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Hexyne, 5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyne, 5-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 2-Hexyne, 5-methyl-?
The CAS number of 2-Hexyne, 5-methyl- is 53566-37-3.
What is the molecular formula of 2-Hexyne, 5-methyl-?
The molecular formula of 2-Hexyne, 5-methyl- is C7H12.
What is the molecular weight of 2-Hexyne, 5-methyl-?
The molecular weight of 2-Hexyne, 5-methyl- is 96.09 g/mol.
Where can I buy 2-Hexyne, 5-methyl-?
You can request a quote for 2-Hexyne, 5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyne, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyne, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.