5-Hexen-3-ol, 2,2,4-trimethyl-
TL;DR: 5-Hexen-3-ol, 2,2,4-trimethyl- (CAS 90676-50-9) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylhex-5-en-3-ol
Also Known As: 2,2,4-trimethylhex-5-en-3-ol, 5-Hexen-3-ol, 2,2,4-trimethyl-, 2,2,4-Trimethyl-5-hexen-3-ol, 3,5,5-Trimethyl-1-hexen-4-ol, 5-Hexen-3-ol,2,2,4-trimethyl
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 90676-50-9 |
|---|---|
| SMILES | CC(C=C)C(C(C)(C)C)O |
| InChIKey | AGOZZBSBTYEUPQ-UHFFFAOYSA-N |
Product Overview
5-Hexen-3-ol, 2,2,4-trimethyl- (CAS 90676-50-9), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 2,2,4-trimethylhex-5-en-3-ol.
Chemical Property Profile of 5-Hexen-3-ol, 2,2,4-trimethyl-
Property Insights of 5-Hexen-3-ol, 2,2,4-trimethyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexen-3-ol, 2,2,4-trimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Hexen-3-ol, 2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexen-3-ol, 2,2,4-trimethyl- 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
Frequently Asked Questions
What is the CAS number of 5-Hexen-3-ol, 2,2,4-trimethyl-?
The CAS number of 5-Hexen-3-ol, 2,2,4-trimethyl- is 90676-50-9.
What is the molecular formula of 5-Hexen-3-ol, 2,2,4-trimethyl-?
The molecular formula of 5-Hexen-3-ol, 2,2,4-trimethyl- is C9H18O.
What is the molecular weight of 5-Hexen-3-ol, 2,2,4-trimethyl-?
The molecular weight of 5-Hexen-3-ol, 2,2,4-trimethyl- is 142.14 g/mol.
Where can I buy 5-Hexen-3-ol, 2,2,4-trimethyl-?
You can request a quote for 5-Hexen-3-ol, 2,2,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexen-3-ol, 2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexen-3-ol, 2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.