5-Methyl-1-hexanol
TL;DR: 5-Methyl-1-hexanol (CAS 627-98-5) 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.
5-methylhexan-1-ol
Also Known As: 5-methylhexanol, 5-Methylhexan-1-ol, 5-METHYL-1-HEXANOL, Isoheptanol, Isoheptan-1-ol
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 627-98-5 |
|---|---|
| SMILES | CC(C)CCCCO |
| InChIKey | ZVHAANQOQZVVFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1-hexanol (CAS 627-98-5), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 5-methylhexan-1-ol.
Chemical Property Profile of 5-Methyl-1-hexanol
Property Insights of 5-Methyl-1-hexanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-hexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Methyl-1-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-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 5-Methyl-1-hexanol?
The CAS number of 5-Methyl-1-hexanol is 627-98-5.
What is the molecular formula of 5-Methyl-1-hexanol?
The molecular formula of 5-Methyl-1-hexanol is C7H16O.
What is the molecular weight of 5-Methyl-1-hexanol?
The molecular weight of 5-Methyl-1-hexanol is 116.12 g/mol.
Where can I buy 5-Methyl-1-hexanol?
You can request a quote for 5-Methyl-1-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.