2-Methylbutyl decanoate
TL;DR: 2-Methylbutyl decanoate (CAS 68067-33-4) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl decanoate
Also Known As: 2-Methylbutyl decanoate, 2-Methylbutyldecanoate, EINECS 268-335-7, Decanoic acid, 2-methylbutyl ester, Decanoic acid 2-methylbutyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 4.7164 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 177.76064 |
Chemical Identifiers
| CAS Number | 68067-33-4 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(C)CC |
Product Overview
2-Methylbutyl decanoate (CAS 68067-33-4), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: 2-methylbutyl decanoate.
Chemical Property Profile of 2-Methylbutyl decanoate
Property Insights of 2-Methylbutyl decanoate
The XLogP value of 4.7164 indicates that 2-Methylbutyl decanoate 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-Methylbutyl decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl decanoate 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 2-Methylbutyl decanoate?
The CAS number of 2-Methylbutyl decanoate is 68067-33-4.
What is the molecular formula of 2-Methylbutyl decanoate?
The molecular formula of 2-Methylbutyl decanoate is C15H30O2.
What is the molecular weight of 2-Methylbutyl decanoate?
The molecular weight of 2-Methylbutyl decanoate is 242.22 g/mol.
Where can I buy 2-Methylbutyl decanoate?
You can request a quote for 2-Methylbutyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.