3,5-Dimethylhex-1-yne
TL;DR: 3,5-Dimethylhex-1-yne (CAS 107109-38-6) is a chemical compound with molecular formula C8H14 and molecular weight 110.10955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethylhex-1-yne
Also Known As: 3,5-dimethylhex-1-yne, 1-Hexyne, 3,5-dimethyl, 3,5-dimethyl-1-hexyne, (2E)-([2-Chloro-4-(trifluoromethyl)phenyl]hydrazono)(methylsulfonyl)ethanenitrile, Acetonitrile, 2-(2-chloro-4-trifluoromethylphenylhydrazono)-2-methylsulfonyl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14 |
| Molecular Weight | 110.10955 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.10955 Da |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
| SMILES | CC(C)CC(C)C#C |
| InChIKey | OMKSPQSURAIMIF-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethylhex-1-yne
Property Insights of 3,5-Dimethylhex-1-yne
The XLogP value of 3.0 indicates that 3,5-Dimethylhex-1-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, 3,5-Dimethylhex-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylhex-1-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
What is the CAS number of 3,5-Dimethylhex-1-yne?
The CAS number of 3,5-Dimethylhex-1-yne is 107109-38-6.
What is the molecular formula of 3,5-Dimethylhex-1-yne?
The molecular formula of 3,5-Dimethylhex-1-yne is C8H14.
What is the molecular weight of 3,5-Dimethylhex-1-yne?
The molecular weight of 3,5-Dimethylhex-1-yne is 110.10955 g/mol.
Where can I buy 3,5-Dimethylhex-1-yne?
You can request a quote for 3,5-Dimethylhex-1-yne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylhex-1-yne?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylhex-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.