2-Methyl-3-hexanol
TL;DR: 2-Methyl-3-hexanol (CAS 617-29-8) 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.
2-methylhexan-3-ol
Also Known As: 2-METHYL-3-HEXANOL, 2-Methylhexan-3-ol, 3-Hexanol, 2-methyl-, 1-Isopropyl-1-butanol, 5-Methyl-4-hexanol
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.2 |
| 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 | 50.0 |
Chemical Identifiers
| CAS Number | 617-29-8 |
|---|---|
| SMILES | CCCC(C(C)C)O |
| InChIKey | RGRUUTLDBCWYBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-hexanol (CAS 617-29-8), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 2-methylhexan-3-ol.
Chemical Property Profile of 2-Methyl-3-hexanol
Property Insights of 2-Methyl-3-hexanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-hexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-3-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-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 2-Methyl-3-hexanol?
The CAS number of 2-Methyl-3-hexanol is 617-29-8.
What is the molecular formula of 2-Methyl-3-hexanol?
The molecular formula of 2-Methyl-3-hexanol is C7H16O.
What is the molecular weight of 2-Methyl-3-hexanol?
The molecular weight of 2-Methyl-3-hexanol is 116.12 g/mol.
Where can I buy 2-Methyl-3-hexanol?
You can request a quote for 2-Methyl-3-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.