Prop-2-enyl 2-acetyloxy-2-methylpropanoate
TL;DR: Prop-2-enyl 2-acetyloxy-2-methylpropanoate (CAS 408318-09-2) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-acetyloxy-2-methylpropanoate
Also Known As: ethyl 6,6-dimethylcyclohex-1-enecarboxylate, prop-2-enyl 2-acetyloxy-2-methylpropanoate, prop-2-en-1-yl 2-(acetyloxy)-2-methylpropanoate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 408318-09-2 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C(=O)OCC=C |
| InChIKey | OCLUIJGQGJKZBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-enyl 2-acetyloxy-2-methylpropanoate (CAS 408318-09-2), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: prop-2-enyl 2-acetyloxy-2-methylpropanoate.
Chemical Property Profile of Prop-2-enyl 2-acetyloxy-2-methylpropanoate
Property Insights of Prop-2-enyl 2-acetyloxy-2-methylpropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 2-acetyloxy-2-methylpropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Prop-2-enyl 2-acetyloxy-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-enyl 2-acetyloxy-2-methylpropanoate has 0 hydrogen bond donor(s) and 4 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 Prop-2-enyl 2-acetyloxy-2-methylpropanoate?
The CAS number of Prop-2-enyl 2-acetyloxy-2-methylpropanoate is 408318-09-2.
What is the molecular formula of Prop-2-enyl 2-acetyloxy-2-methylpropanoate?
The molecular formula of Prop-2-enyl 2-acetyloxy-2-methylpropanoate is C9H14O4.
What is the molecular weight of Prop-2-enyl 2-acetyloxy-2-methylpropanoate?
The molecular weight of Prop-2-enyl 2-acetyloxy-2-methylpropanoate is 186.09 g/mol.
Where can I buy Prop-2-enyl 2-acetyloxy-2-methylpropanoate?
You can request a quote for Prop-2-enyl 2-acetyloxy-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-enyl 2-acetyloxy-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 2-acetyloxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.