1-Methoxy-3-hydroxymethylheptane
TL;DR: 1-Methoxy-3-hydroxymethylheptane (CAS 71052-95-4) is a chemical compound with molecular formula C9H20O2 and molecular weight 160.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyethyl)hexan-1-ol
Also Known As: 2-butyl-4-methoxybutanol, 1-Methoxy-3-hydroxymethylheptane, 2-(2-methoxyethyl)hexan-1-ol, 2-(2-Methoxyethyl)-1-hexanol, 2-(2-Methoxyethyl)-1-hexanol #
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 71052-95-4 |
|---|---|
| SMILES | CCCCC(CCOC)CO |
| InChIKey | FQWOXVAQRPFCTE-UHFFFAOYSA-N |
Product Overview
1-Methoxy-3-hydroxymethylheptane (CAS 71052-95-4), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 2-(2-methoxyethyl)hexan-1-ol.
Chemical Property Profile of 1-Methoxy-3-hydroxymethylheptane
Property Insights of 1-Methoxy-3-hydroxymethylheptane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-3-hydroxymethylheptane. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methoxy-3-hydroxymethylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-3-hydroxymethylheptane has 1 hydrogen bond donor(s) and 2 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 1-Methoxy-3-hydroxymethylheptane?
The CAS number of 1-Methoxy-3-hydroxymethylheptane is 71052-95-4.
What is the molecular formula of 1-Methoxy-3-hydroxymethylheptane?
The molecular formula of 1-Methoxy-3-hydroxymethylheptane is C9H20O2.
What is the molecular weight of 1-Methoxy-3-hydroxymethylheptane?
The molecular weight of 1-Methoxy-3-hydroxymethylheptane is 160.15 g/mol.
Where can I buy 1-Methoxy-3-hydroxymethylheptane?
You can request a quote for 1-Methoxy-3-hydroxymethylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-hydroxymethylheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-hydroxymethylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.