1-Hexen-3-yne, 5,5-dimethyl-
TL;DR: 1-Hexen-3-yne, 5,5-dimethyl- (CAS 4911-58-4) 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.
5,5-dimethylhex-1-en-3-yne
Also Known As: 5,5-dimethylhex-1-en-3-yne, 1-Hexen-3-yne, 5,5-dimethyl-, Vinyl-tert.-butyl-acetylen, 5,5-Dimethyl-1-hexen-3-yne, 5,5-Dimethyl-1-hexene-3-yne
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 4911-58-4 |
|---|---|
| SMILES | CC(C)(C)C#CC=C |
| InChIKey | MNOBHGLBCJQCCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexen-3-yne, 5,5-dimethyl- (CAS 4911-58-4), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 5,5-dimethylhex-1-en-3-yne.
Chemical Property Profile of 1-Hexen-3-yne, 5,5-dimethyl-
Property Insights of 1-Hexen-3-yne, 5,5-dimethyl-
The XLogP value of 3.1 indicates that 1-Hexen-3-yne, 5,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Hexen-3-yne, 5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexen-3-yne, 5,5-dimethyl- 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 1-Hexen-3-yne, 5,5-dimethyl-?
The CAS number of 1-Hexen-3-yne, 5,5-dimethyl- is 4911-58-4.
What is the molecular formula of 1-Hexen-3-yne, 5,5-dimethyl-?
The molecular formula of 1-Hexen-3-yne, 5,5-dimethyl- is C8H12.
What is the molecular weight of 1-Hexen-3-yne, 5,5-dimethyl-?
The molecular weight of 1-Hexen-3-yne, 5,5-dimethyl- is 108.09 g/mol.
Where can I buy 1-Hexen-3-yne, 5,5-dimethyl-?
You can request a quote for 1-Hexen-3-yne, 5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexen-3-yne, 5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexen-3-yne, 5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.