2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester
TL;DR: 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester (CAS 71383-07-8) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctyl 3-methylbut-2-enoate
Also Known As: 3,7-Dimethyloctyl 3,3-dimethylacrylate, 3,7-Dimethyloctyl 3-methyl-2-butenoate, 3,7-dimethyloctyl 3-methylbut-2-enoate, 3,7-dimethyloctyl3-methyl-2-butenoate, 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 71383-07-8 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC(=O)C=C(C)C |
| InChIKey | FMHDHJRLIKZTQX-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester (CAS 71383-07-8), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: 3,7-dimethyloctyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester
Property Insights of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester
The XLogP value of 5.7 indicates that 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl 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, 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl 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 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester is 71383-07-8.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester is C15H28O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester is 240.21 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, 3,7-dimethyloctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.