3-Hexanol, 3-methyl-
TL;DR: 3-Hexanol, 3-methyl- (CAS 597-96-6) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexan-3-ol
Also Known As: 3-METHYL-3-HEXANOL, 3-Methylhexan-3-ol, 3-Hexanol, 3-methyl-, 2-Ethyl-2-pentanol, 3-Methyl-hexanol-(3)
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 597-96-6 |
|---|---|
| SMILES | CCCC(C)(CC)O |
| InChIKey | KYWJZCSJMOILIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexanol, 3-methyl- (CAS 597-96-6), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 3-methylhexan-3-ol.
Chemical Property Profile of 3-Hexanol, 3-methyl-
Property Insights of 3-Hexanol, 3-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanol, 3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hexanol, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexanol, 3-methyl- 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-Hexanol, 3-methyl-?
The CAS number of 3-Hexanol, 3-methyl- is 597-96-6.
What is the molecular formula of 3-Hexanol, 3-methyl-?
The molecular formula of 3-Hexanol, 3-methyl- is C7H16O.
What is the molecular weight of 3-Hexanol, 3-methyl-?
The molecular weight of 3-Hexanol, 3-methyl- is 116.12 g/mol.
Where can I buy 3-Hexanol, 3-methyl-?
You can request a quote for 3-Hexanol, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanol, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanol, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.