4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester
TL;DR: 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester (CAS 77532-61-7) is a chemical compound with molecular formula C16H26O3 and molecular weight 266.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-5,9-dimethyldeca-4,8-dienoate
Also Known As: 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester, ETHYL 2-ACETYL-5,9-DIMETHYLDECA-4,8-DIENOATE, 4,8-Decadienoic acid,2-acetyl-5,9-dimethyl-,ethyl ester
| Molecular Formula | C16H26O3 |
|---|---|
| Molecular Weight | 266.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 266.1882 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 77532-61-7 |
|---|---|
| SMILES | CCOC(=O)C(CC=C(C)CCC=C(C)C)C(=O)C |
| InChIKey | BYPQAGFTLOOIJF-UHFFFAOYSA-N |
Product Overview
4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester (CAS 77532-61-7), with molecular formula C16H26O3 and molecular weight 266.19 g/mol. IUPAC: ethyl 2-acetyl-5,9-dimethyldeca-4,8-dienoate.
Chemical Property Profile of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester
Property Insights of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester
The XLogP value of 4.2 indicates that 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl 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 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester?
The CAS number of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester is 77532-61-7.
What is the molecular formula of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester?
The molecular formula of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester is C16H26O3.
What is the molecular weight of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester?
The molecular weight of 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester is 266.19 g/mol.
Where can I buy 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester?
You can request a quote for 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.