2-Hexyne, 4,4,5-trimethyl-
TL;DR: 2-Hexyne, 4,4,5-trimethyl- (CAS 994-21-8) is a chemical compound with molecular formula CC#CC(C)(C)C(C)C and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trimethylhex-2-yne
Also Known As: 4,4,5-trimethylhex-2-yne, 2-Hexyne, 4,4,5-trimethyl-, 2-Hexyne, 4,4,5-trimethyl, 4,4,5-Trimethyl-2-hexyne, RefChem:1063302
| Molecular Formula | CC#CC(C)(C)C(C)C |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 994-21-8 |
|---|---|
| SMILES | CC#CC(C)(C)C(C)C |
| InChIKey | YRWKVFWKGUZUGY-UHFFFAOYSA-N |
Product Overview
2-Hexyne, 4,4,5-trimethyl- (CAS 994-21-8), with molecular formula CC#CC(C)(C)C(C)C and molecular weight 124.13 g/mol. IUPAC: 4,4,5-trimethylhex-2-yne.
Chemical Property Profile of 2-Hexyne, 4,4,5-trimethyl-
Property Insights of 2-Hexyne, 4,4,5-trimethyl-
The XLogP value of 3.5 indicates that 2-Hexyne, 4,4,5-trimethyl- 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, 4,4,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyne, 4,4,5-trimethyl- 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, 4,4,5-trimethyl-?
The CAS number of 2-Hexyne, 4,4,5-trimethyl- is 994-21-8.
What is the molecular formula of 2-Hexyne, 4,4,5-trimethyl-?
The molecular formula of 2-Hexyne, 4,4,5-trimethyl- is CC#CC(C)(C)C(C)C.
What is the molecular weight of 2-Hexyne, 4,4,5-trimethyl-?
The molecular weight of 2-Hexyne, 4,4,5-trimethyl- is 124.13 g/mol.
Where can I buy 2-Hexyne, 4,4,5-trimethyl-?
You can request a quote for 2-Hexyne, 4,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyne, 4,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyne, 4,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.