Carbonic acid, ethyl hexyl ester
TL;DR: Carbonic acid, ethyl hexyl ester (CAS 87494-31-3) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl hexyl carbonate
Also Known As: ethyl hexyl carbonate, Hexylathylkarbonat, Carbonic acid, ethyl hexyl ester, Carbonic acid ethylhexyl ester, Carbonic acid hexylethyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.7398 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.34128 |
Chemical Identifiers
| CAS Number | 87494-31-3 |
|---|---|
| SMILES | CCCCCCOC(=O)OCC |
Product Overview
Carbonic acid, ethyl hexyl ester (CAS 87494-31-3), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: ethyl hexyl carbonate.
Chemical Property Profile of Carbonic acid, ethyl hexyl ester
Property Insights of Carbonic acid, ethyl hexyl ester
The XLogP value of 2.7398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, ethyl hexyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Carbonic acid, ethyl hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, ethyl hexyl ester has 0 hydrogen bond donor(s) and 3 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 Carbonic acid, ethyl hexyl ester?
The CAS number of Carbonic acid, ethyl hexyl ester is 87494-31-3.
What is the molecular formula of Carbonic acid, ethyl hexyl ester?
The molecular formula of Carbonic acid, ethyl hexyl ester is C9H18O3.
What is the molecular weight of Carbonic acid, ethyl hexyl ester?
The molecular weight of Carbonic acid, ethyl hexyl ester is 174.13 g/mol.
Where can I buy Carbonic acid, ethyl hexyl ester?
You can request a quote for Carbonic acid, ethyl hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, ethyl hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, ethyl hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.