6-Methyl-3-heptyne
TL;DR: 6-Methyl-3-heptyne (CAS 54050-92-9) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylhept-3-yne
Also Known As: 6-Methyl-3-heptyne, 6-methylhept-3-yne, 3-Heptyne, 6-methyl, 3-Heptyne, 6-methyl-, 2-Methylhept-4-in
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 54050-92-9 |
|---|---|
| SMILES | CCC#CCC(C)C |
| InChIKey | UUWGRVSCFPICBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-3-heptyne (CAS 54050-92-9), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 6-methylhept-3-yne.
Chemical Property Profile of 6-Methyl-3-heptyne
Property Insights of 6-Methyl-3-heptyne
The XLogP value of 3.1 indicates that 6-Methyl-3-heptyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Methyl-3-heptyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-heptyne 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 6-Methyl-3-heptyne?
The CAS number of 6-Methyl-3-heptyne is 54050-92-9.
What is the molecular formula of 6-Methyl-3-heptyne?
The molecular formula of 6-Methyl-3-heptyne is C8H14.
What is the molecular weight of 6-Methyl-3-heptyne?
The molecular weight of 6-Methyl-3-heptyne is 110.11 g/mol.
Where can I buy 6-Methyl-3-heptyne?
You can request a quote for 6-Methyl-3-heptyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-heptyne?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-heptyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.