Hexanoic acid, 6-hydroxy-, methyl ester
TL;DR: Hexanoic acid, 6-hydroxy-, methyl ester (CAS 113007-78-6) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-hydroxyhexanoate
Also Known As: Methyl 6-hydroxyhexanoate, Hexanoic acid, 6-hydroxy-, methyl ester, Methyl6-hydroxyhexanoate, methyl 6-hydroxycaproate, 5-methoxycarbonylpentanol
Technical Specifications
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.0943 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.0943 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| SMILES | COC(=O)CCCCCO |
| InChIKey | YDJZXHZRXDLCEH-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 6-hydroxy-, methyl ester
Property Insights of Hexanoic acid, 6-hydroxy-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-hydroxy-, methyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Hexanoic acid, 6-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 6-hydroxy-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 6-hydroxy-, methyl ester?
The CAS number of Hexanoic acid, 6-hydroxy-, methyl ester is 113007-78-6.
What is the molecular formula of Hexanoic acid, 6-hydroxy-, methyl ester?
The molecular formula of Hexanoic acid, 6-hydroxy-, methyl ester is C7H14O3.
What is the molecular weight of Hexanoic acid, 6-hydroxy-, methyl ester?
The molecular weight of Hexanoic acid, 6-hydroxy-, methyl ester is 146.0943 g/mol.
Where can I buy Hexanoic acid, 6-hydroxy-, methyl ester?
You can request a quote for Hexanoic acid, 6-hydroxy-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 6-hydroxy-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 6-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.