3,4,5-Trimethyl-1-hexanol
TL;DR: 3,4,5-Trimethyl-1-hexanol (CAS 53151-79-4) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethylhexan-1-ol
Also Known As: 3,4,5-Trimethylhexan-1-ol, 3,4,5-Trimethyl-1-hexanol, 1-Hexanol, 3,4,5-trimethyl-, 1-Hexanol,3,4,5-trimethyl, 1-Hexanol,3,4,5-trimethyl-
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 53151-79-4 |
|---|---|
| SMILES | CC(C)C(C)C(C)CCO |
| InChIKey | MQQCUZGHANGGIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethyl-1-hexanol (CAS 53151-79-4), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3,4,5-trimethylhexan-1-ol.
Chemical Property Profile of 3,4,5-Trimethyl-1-hexanol
Property Insights of 3,4,5-Trimethyl-1-hexanol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethyl-1-hexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4,5-Trimethyl-1-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethyl-1-hexanol 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 3,4,5-Trimethyl-1-hexanol?
The CAS number of 3,4,5-Trimethyl-1-hexanol is 53151-79-4.
What is the molecular formula of 3,4,5-Trimethyl-1-hexanol?
The molecular formula of 3,4,5-Trimethyl-1-hexanol is C9H20O.
What is the molecular weight of 3,4,5-Trimethyl-1-hexanol?
The molecular weight of 3,4,5-Trimethyl-1-hexanol is 144.15 g/mol.
Where can I buy 3,4,5-Trimethyl-1-hexanol?
You can request a quote for 3,4,5-Trimethyl-1-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethyl-1-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethyl-1-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.