2-Methyl-1-hepten-3-yne
TL;DR: 2-Methyl-1-hepten-3-yne (CAS 17669-40-8) 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.
2-methylhept-1-en-3-yne
Also Known As: 2-Methyl-1-hepten-3-yne, 2-methylhept-1-en-3-yne, 2-Methyl-1-heptene-3-yne, 2-Methyl-hept-1-en-3-yne, 1-Hepten-3-yne, 2-methyl-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 17669-40-8 |
|---|---|
| SMILES | CCCC#CC(=C)C |
| InChIKey | UOOFRLPCQNNECP-UHFFFAOYSA-N |
Product Overview
2-Methyl-1-hepten-3-yne (CAS 17669-40-8), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 2-methylhept-1-en-3-yne.
Chemical Property Profile of 2-Methyl-1-hepten-3-yne
Property Insights of 2-Methyl-1-hepten-3-yne
The XLogP value of 3.4 indicates that 2-Methyl-1-hepten-3-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-1-hepten-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-hepten-3-yne 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-Methyl-1-hepten-3-yne?
The CAS number of 2-Methyl-1-hepten-3-yne is 17669-40-8.
What is the molecular formula of 2-Methyl-1-hepten-3-yne?
The molecular formula of 2-Methyl-1-hepten-3-yne is C8H12.
What is the molecular weight of 2-Methyl-1-hepten-3-yne?
The molecular weight of 2-Methyl-1-hepten-3-yne is 108.09 g/mol.
Where can I buy 2-Methyl-1-hepten-3-yne?
You can request a quote for 2-Methyl-1-hepten-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-hepten-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-hepten-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.