3,3-Dimethylhex-1-yne
TL;DR: 3,3-Dimethylhex-1-yne (CAS 67291-78-5) 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.
3,3-dimethylhex-1-yne
Also Known As: 3,3-dimethylhex-1-yne, 1-Hexyne, 3,3-dimethyl, 3,3-Dimethyl-1-hexyne
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 67291-78-5 |
|---|---|
| SMILES | CCCC(C)(C)C#C |
| InChIKey | MLRORDXAZGLTKK-UHFFFAOYSA-N |
Product Overview
3,3-Dimethylhex-1-yne (CAS 67291-78-5), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 3,3-dimethylhex-1-yne.
Chemical Property Profile of 3,3-Dimethylhex-1-yne
Property Insights of 3,3-Dimethylhex-1-yne
The XLogP value of 3.3 indicates that 3,3-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, 3,3-Dimethylhex-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-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
Frequently Asked Questions
What is the CAS number of 3,3-Dimethylhex-1-yne?
The CAS number of 3,3-Dimethylhex-1-yne is 67291-78-5.
What is the molecular formula of 3,3-Dimethylhex-1-yne?
The molecular formula of 3,3-Dimethylhex-1-yne is C8H14.
What is the molecular weight of 3,3-Dimethylhex-1-yne?
The molecular weight of 3,3-Dimethylhex-1-yne is 110.11 g/mol.
Where can I buy 3,3-Dimethylhex-1-yne?
You can request a quote for 3,3-Dimethylhex-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylhex-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylhex-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.