Allyl dimethylhexanoate
TL;DR: Allyl dimethylhexanoate (CAS 60545-33-7) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2-dimethylhexanoate
Also Known As: Allyl dimethylhexanoate, allyldimethylhexanoate, 2-Propen-1-yl 2,2-dimethylhexanoate, EINECS 304-247-8, prop-2-enyl 2,2-dimethylhexanoate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 170.9291 |
Chemical Identifiers
| CAS Number | 60545-33-7 |
|---|---|
| SMILES | CCCCC(C)(C)C(=O)OCC=C |
Product Overview
Allyl dimethylhexanoate (CAS 60545-33-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: prop-2-enyl 2,2-dimethylhexanoate.
Chemical Property Profile of Allyl dimethylhexanoate
Property Insights of Allyl dimethylhexanoate
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl dimethylhexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl dimethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl dimethylhexanoate 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 dimethylhexanoate?
The CAS number of Allyl dimethylhexanoate is 60545-33-7.
What is the molecular formula of Allyl dimethylhexanoate?
The molecular formula of Allyl dimethylhexanoate is C11H20O2.
What is the molecular weight of Allyl dimethylhexanoate?
The molecular weight of Allyl dimethylhexanoate is 184.15 g/mol.
Where can I buy Allyl dimethylhexanoate?
You can request a quote for Allyl dimethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl dimethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl dimethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.