Allyl dimethyloctanoate
TL;DR: Allyl dimethyloctanoate (CAS 57947-71-4) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2-dimethyloctanoate
Also Known As: Allyl dimethyloctanoate, allyldimethyloctanoate, Allyl 2,2-dimethylcaprylate, EINECS 304-249-9, 2-Propen-1-yl 2,2-dimethyloctanoate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.7122 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 194.71263 |
Chemical Identifiers
| CAS Number | 57947-71-4 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)OCC=C |
Product Overview
Allyl dimethyloctanoate (CAS 57947-71-4), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: prop-2-enyl 2,2-dimethyloctanoate.
Chemical Property Profile of Allyl dimethyloctanoate
Property Insights of Allyl dimethyloctanoate
The XLogP value of 3.7122 indicates that Allyl dimethyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl dimethyloctanoate 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 Allyl dimethyloctanoate?
The CAS number of Allyl dimethyloctanoate is 57947-71-4.
What is the molecular formula of Allyl dimethyloctanoate?
The molecular formula of Allyl dimethyloctanoate is C13H24O2.
What is the molecular weight of Allyl dimethyloctanoate?
The molecular weight of Allyl dimethyloctanoate is 212.18 g/mol.
Where can I buy Allyl dimethyloctanoate?
You can request a quote for Allyl dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.