Hex-1-yne-3-ene, 3-ethyl-
TL;DR: Hex-1-yne-3-ene, 3-ethyl- (CAS 2750-71-2) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylhex-3-en-1-yne
Also Known As: Hex-1-yne-3-ene, 3-ethyl-, 4-ethylhex-3-en-1-yne, (C2H5)2C=CHC.equiv.CH, 3-Hexen-1-yne, 4-ethyl-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 2750-71-2 |
|---|---|
| SMILES | CCC(=CC#C)CC |
| InChIKey | UTEMBLSPEWIWDH-UHFFFAOYSA-N |
Product Overview
Hex-1-yne-3-ene, 3-ethyl- (CAS 2750-71-2), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 4-ethylhex-3-en-1-yne.
Chemical Property Profile of Hex-1-yne-3-ene, 3-ethyl-
Property Insights of Hex-1-yne-3-ene, 3-ethyl-
The XLogP value of 3.0 indicates that Hex-1-yne-3-ene, 3-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hex-1-yne-3-ene, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-1-yne-3-ene, 3-ethyl- 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 Hex-1-yne-3-ene, 3-ethyl-?
The CAS number of Hex-1-yne-3-ene, 3-ethyl- is 2750-71-2.
What is the molecular formula of Hex-1-yne-3-ene, 3-ethyl-?
The molecular formula of Hex-1-yne-3-ene, 3-ethyl- is C8H12.
What is the molecular weight of Hex-1-yne-3-ene, 3-ethyl-?
The molecular weight of Hex-1-yne-3-ene, 3-ethyl- is 108.09 g/mol.
Where can I buy Hex-1-yne-3-ene, 3-ethyl-?
You can request a quote for Hex-1-yne-3-ene, 3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-1-yne-3-ene, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hex-1-yne-3-ene, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.