Carbonic acid, allyl butyl ester
TL;DR: Carbonic acid, allyl butyl ester (CAS 16308-66-0) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enyl carbonate
Also Known As: allyl butyl carbonate, Carbonic acid, allyl butyl ester, butyl prop-2-enyl carbonate, Carbonic acid allylbutyl ester, Butyl 2-propen-1-yl carbonate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 2.1257 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 120.50558 |
Chemical Identifiers
| CAS Number | 16308-66-0 |
|---|---|
| SMILES | CCCCOC(=O)OCC=C |
Product Overview
Carbonic acid, allyl butyl ester (CAS 16308-66-0), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: butyl prop-2-enyl carbonate.
Chemical Property Profile of Carbonic acid, allyl butyl ester
Property Insights of Carbonic acid, allyl butyl ester
The XLogP value of 2.1257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, allyl butyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Carbonic acid, allyl butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, allyl butyl 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, allyl butyl ester?
The CAS number of Carbonic acid, allyl butyl ester is 16308-66-0.
What is the molecular formula of Carbonic acid, allyl butyl ester?
The molecular formula of Carbonic acid, allyl butyl ester is C8H14O3.
What is the molecular weight of Carbonic acid, allyl butyl ester?
The molecular weight of Carbonic acid, allyl butyl ester is 158.09 g/mol.
Where can I buy Carbonic acid, allyl butyl ester?
You can request a quote for Carbonic acid, allyl butyl 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, allyl butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, allyl butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.