4,5,5-Trimethylhex-3-en-1-yne
TL;DR: 4,5,5-Trimethylhex-3-en-1-yne (CAS 38253-09-7) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,5-trimethylhex-3-en-1-yne
Also Known As: 4,5,5-trimethylhex-3-en-1-yne, 3-Hexen-1-yne, 4,5,5-trimethyl- (9CI)
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 2.612 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 147.85757 |
Chemical Identifiers
| CAS Number | 38253-09-7 |
|---|---|
| SMILES | CC(=CC#C)C(C)(C)C |
Product Overview
4,5,5-Trimethylhex-3-en-1-yne (CAS 38253-09-7), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 4,5,5-trimethylhex-3-en-1-yne.
Chemical Property Profile of 4,5,5-Trimethylhex-3-en-1-yne
Property Insights of 4,5,5-Trimethylhex-3-en-1-yne
The XLogP value of 2.612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,5-Trimethylhex-3-en-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,5-Trimethylhex-3-en-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,5-Trimethylhex-3-en-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 4,5,5-Trimethylhex-3-en-1-yne?
The CAS number of 4,5,5-Trimethylhex-3-en-1-yne is 38253-09-7.
What is the molecular formula of 4,5,5-Trimethylhex-3-en-1-yne?
The molecular formula of 4,5,5-Trimethylhex-3-en-1-yne is C9H14.
What is the molecular weight of 4,5,5-Trimethylhex-3-en-1-yne?
The molecular weight of 4,5,5-Trimethylhex-3-en-1-yne is 122.11 g/mol.
Where can I buy 4,5,5-Trimethylhex-3-en-1-yne?
You can request a quote for 4,5,5-Trimethylhex-3-en-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,5-Trimethylhex-3-en-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4,5,5-Trimethylhex-3-en-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.