4,4-Dimethylhex-1-yne
TL;DR: 4,4-Dimethylhex-1-yne (CAS 35466-99-0) 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.
4,4-dimethylhex-1-yne
Also Known As: 4,4-dimethylhex-1-yne, 4,4-Dimethyl-1-hexyne, 1-Hexyne, 4,4-dimethyl, Ethyl 8-([(1-oxido-2-pyridinyl)sulfanyl]methyl)-4H-1,3-benzodioxine-6-carboxylate, Benzo[d]1,3-dioxin, 6-carboxylic acid-2,4-dihydro-8-(1-oxido-2-pyridylthiomethyl)-, ethyl ester
| 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 | 2 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 35466-99-0 |
|---|---|
| SMILES | CCC(C)(C)CC#C |
| InChIKey | NGPYJCZSRIALNR-UHFFFAOYSA-N |
Product Overview
4,4-Dimethylhex-1-yne (CAS 35466-99-0), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 4,4-dimethylhex-1-yne.
Chemical Property Profile of 4,4-Dimethylhex-1-yne
Property Insights of 4,4-Dimethylhex-1-yne
The XLogP value of 3.1 indicates that 4,4-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, 4,4-Dimethylhex-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-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 4,4-Dimethylhex-1-yne?
The CAS number of 4,4-Dimethylhex-1-yne is 35466-99-0.
What is the molecular formula of 4,4-Dimethylhex-1-yne?
The molecular formula of 4,4-Dimethylhex-1-yne is C8H14.
What is the molecular weight of 4,4-Dimethylhex-1-yne?
The molecular weight of 4,4-Dimethylhex-1-yne is 110.11 g/mol.
Where can I buy 4,4-Dimethylhex-1-yne?
You can request a quote for 4,4-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 4,4-Dimethylhex-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylhex-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.