Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
TL;DR: Propanoic acid, 2-methyl-, 1-ethenylhexyl ester (CAS 93940-61-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-1-en-3-yl 2-methylpropanoate
Also Known As: 1-Vinylhexyl isobutyrate, 1-octen-3-ol isobutyrate, oct-1-en-3-yl 2-methylpropanoate, EINECS 300-458-4, Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3205 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 173.16054 |
Chemical Identifiers
| CAS Number | 93940-61-5 |
|---|---|
| SMILES | CCCCCC(C=C)OC(=O)C(C)C |
Product Overview
Propanoic acid, 2-methyl-, 1-ethenylhexyl ester (CAS 93940-61-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: oct-1-en-3-yl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
Property Insights of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
The XLogP value of 3.3205 indicates that Propanoic acid, 2-methyl-, 1-ethenylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl-, 1-ethenylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 1-ethenylhexyl ester has 0 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 Propanoic acid, 2-methyl-, 1-ethenylhexyl ester?
The CAS number of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester is 93940-61-5.
What is the molecular formula of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester is C12H22O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 1-ethenylhexyl ester is 198.16 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 1-ethenylhexyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 1-ethenylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 1-ethenylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 1-ethenylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.