Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester
TL;DR: Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester (CAS 2726-47-8) is a chemical compound with molecular formula C19H32O2 and molecular weight 292.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
Also Known As: Nerolidyl isobutyrate, Nerolidylisobutyrate, (e)-nerolidyl isobutyrate, EINECS 220-138-7, 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl isobutyrate
| Molecular Formula | C19H32O2 |
|---|---|
| Molecular Weight | 292.24 g/mol |
| LogP | 5.6032 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.24023 |
| Heavy Atoms | 21 |
| Complexity | 397.78943 |
Chemical Identifiers
| CAS Number | 2726-47-8 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C |
Product Overview
Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester (CAS 2726-47-8), with molecular formula C19H32O2 and molecular weight 292.24 g/mol. IUPAC: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester
Property Insights of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester
The XLogP value of 5.6032 indicates that Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl 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-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester?
The CAS number of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester is 2726-47-8.
What is the molecular formula of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester?
The molecular formula of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester is C19H32O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester?
The molecular weight of Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester is 292.24 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester?
You can request a quote for Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl 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-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.