(3S)-hex-5-en-1-yn-3-ol
TL;DR: (3S)-hex-5-en-1-yn-3-ol (CAS 116119-83-6) is a chemical compound with molecular formula C6H8O and molecular weight 96.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-hex-5-en-1-yn-3-ol
Also Known As: Hex-5-en-1-yn-3-ol, 5-Hexen-1-yn-3-ol, (3S)-
Technical Specifications
| Molecular Formula | C6H8O |
| Molecular Weight | 96.05752 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 Da |
| Heavy Atoms | 7 |
| Complexity | 96.0 |
| SMILES | C=CC[C@@H](C#C)O |
| InChIKey | HRTFZVSJWXOSIX-ZCFIWIBFSA-N |
Chemical Property Profile of (3S)-hex-5-en-1-yn-3-ol
Property Insights of (3S)-hex-5-en-1-yn-3-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-hex-5-en-1-yn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, (3S)-hex-5-en-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-hex-5-en-1-yn-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-hex-5-en-1-yn-3-ol?
The CAS number of (3S)-hex-5-en-1-yn-3-ol is 116119-83-6.
What is the molecular formula of (3S)-hex-5-en-1-yn-3-ol?
The molecular formula of (3S)-hex-5-en-1-yn-3-ol is C6H8O.
What is the molecular weight of (3S)-hex-5-en-1-yn-3-ol?
The molecular weight of (3S)-hex-5-en-1-yn-3-ol is 96.05752 g/mol.
Where can I buy (3S)-hex-5-en-1-yn-3-ol?
You can request a quote for (3S)-hex-5-en-1-yn-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-hex-5-en-1-yn-3-ol?
Yes, CoreyChem provides custom synthesis services for (3S)-hex-5-en-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.