1-Hexyne, 5-methyl-
TL;DR: 1-Hexyne, 5-methyl- (CAS 2203-80-7) is a chemical compound with molecular formula CC(C)CCC#C 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-1-yne
Also Known As: 5-Methyl-1-hexyne, 5-methylhex-1-yne, 1-Hexyne, 5-methyl-, Isoamylacetylene, isohept-1-yne
| Molecular Formula | CC(C)CCC#C |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 2203-80-7 |
|---|---|
| SMILES | CC(C)CCC#C |
| InChIKey | HKNANEMUCJGPMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexyne, 5-methyl- (CAS 2203-80-7), with molecular formula CC(C)CCC#C and molecular weight 96.09 g/mol. IUPAC: 5-methylhex-1-yne.
Chemical Property Profile of 1-Hexyne, 5-methyl-
Property Insights of 1-Hexyne, 5-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyne, 5-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Hexyne, 5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Hexyne, 5-methyl-?
The CAS number of 1-Hexyne, 5-methyl- is 2203-80-7.
What is the molecular formula of 1-Hexyne, 5-methyl-?
The molecular formula of 1-Hexyne, 5-methyl- is CC(C)CCC#C.
What is the molecular weight of 1-Hexyne, 5-methyl-?
The molecular weight of 1-Hexyne, 5-methyl- is 96.09 g/mol.
Where can I buy 1-Hexyne, 5-methyl-?
You can request a quote for 1-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 1-Hexyne, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyne, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.