Allyl (2-methylbutoxy)acetate
TL;DR: Allyl (2-methylbutoxy)acetate (CAS 67634-01-9) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-(2-methylbutoxy)acetate
Also Known As: Allyl (2-methylbutoxy)acetate, Allyl acetate, allyl(2-methylbutoxy)acetate, prop-2-enyl 2-(2-methylbutoxy)acetate, allyl 2-(2-methylbutoxy)acetate
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 67634-01-9 |
|---|---|
| SMILES | CCC(C)COCC(=O)OCC=C |
| InChIKey | GWFJURKHPPFFMD-UHFFFAOYSA-N |
Product Overview
Allyl (2-methylbutoxy)acetate (CAS 67634-01-9), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: prop-2-enyl 2-(2-methylbutoxy)acetate.
Chemical Property Profile of Allyl (2-methylbutoxy)acetate
Property Insights of Allyl (2-methylbutoxy)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl (2-methylbutoxy)acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl (2-methylbutoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl (2-methylbutoxy)acetate has 0 hydrogen bond donor(s) and 3 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 (2-methylbutoxy)acetate?
The CAS number of Allyl (2-methylbutoxy)acetate is 67634-01-9.
What is the molecular formula of Allyl (2-methylbutoxy)acetate?
The molecular formula of Allyl (2-methylbutoxy)acetate is C10H18O3.
What is the molecular weight of Allyl (2-methylbutoxy)acetate?
The molecular weight of Allyl (2-methylbutoxy)acetate is 186.13 g/mol.
Where can I buy Allyl (2-methylbutoxy)acetate?
You can request a quote for Allyl (2-methylbutoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl (2-methylbutoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl (2-methylbutoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.