2-Hexyne, 4-ethyl-4-methyl-
TL;DR: 2-Hexyne, 4-ethyl-4-methyl- (CAS 17530-25-5) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-4-methylhex-2-yne
Also Known As: 4-ethyl-4-methylhex-2-yne, 2-Hexyne, 4-ethyl-4-methyl, 2-Hexyne, 4-ethyl-4-methyl-, 4-Ethyl-4-methyl-2-hexyne, 4-Amino-6-methyl-1,3,5-triazine-2-carboxylic acid
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 17530-25-5 |
|---|---|
| SMILES | CCC(C)(CC)C#CC |
| InChIKey | WPNNVUZJQMMPMW-UHFFFAOYSA-N |
Product Overview
2-Hexyne, 4-ethyl-4-methyl- (CAS 17530-25-5), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 4-ethyl-4-methylhex-2-yne.
Chemical Property Profile of 2-Hexyne, 4-ethyl-4-methyl-
Property Insights of 2-Hexyne, 4-ethyl-4-methyl-
The XLogP value of 3.8 indicates that 2-Hexyne, 4-ethyl-4-methyl- 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-Hexyne, 4-ethyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyne, 4-ethyl-4-methyl- 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-Hexyne, 4-ethyl-4-methyl-?
The CAS number of 2-Hexyne, 4-ethyl-4-methyl- is 17530-25-5.
What is the molecular formula of 2-Hexyne, 4-ethyl-4-methyl-?
The molecular formula of 2-Hexyne, 4-ethyl-4-methyl- is C9H16.
What is the molecular weight of 2-Hexyne, 4-ethyl-4-methyl-?
The molecular weight of 2-Hexyne, 4-ethyl-4-methyl- is 124.13 g/mol.
Where can I buy 2-Hexyne, 4-ethyl-4-methyl-?
You can request a quote for 2-Hexyne, 4-ethyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyne, 4-ethyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyne, 4-ethyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.