Dodecyl 3-methylbutanoate
TL;DR: Dodecyl 3-methylbutanoate (CAS 81886-49-9) is a chemical compound with molecular formula C17H34O2 and molecular weight 270.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-methylbutanoate
Also Known As: dodecyl 3-methylbutanoate, Isovaleric acid dodecyl ester, Isovaleric acid, dodecyl ester, DODECYL 3-METHYLBUTYRATE, 3-Methylbutyric acid dodecyl ester
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 81886-49-9 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CC(C)C |
| InChIKey | DEHIFZZMFPRYNH-UHFFFAOYSA-N |
Product Overview
Dodecyl 3-methylbutanoate (CAS 81886-49-9), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: dodecyl 3-methylbutanoate.
Chemical Property Profile of Dodecyl 3-methylbutanoate
Property Insights of Dodecyl 3-methylbutanoate
The XLogP value of 6.8 indicates that Dodecyl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 3-methylbutanoate 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 Dodecyl 3-methylbutanoate?
The CAS number of Dodecyl 3-methylbutanoate is 81886-49-9.
What is the molecular formula of Dodecyl 3-methylbutanoate?
The molecular formula of Dodecyl 3-methylbutanoate is C17H34O2.
What is the molecular weight of Dodecyl 3-methylbutanoate?
The molecular weight of Dodecyl 3-methylbutanoate is 270.26 g/mol.
Where can I buy Dodecyl 3-methylbutanoate?
You can request a quote for Dodecyl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.