Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate
TL;DR: Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate (CAS 10138-39-3) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
Also Known As: 3, allyl ester, Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate, 4-18-00-03899 (Beilstein Handbook Reference), 3,4-Epoxy-6-methylcyclohexanecarboxylic acid, allyl ester, prop-2-enyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
Technical Specifications
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.10994 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10994 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| SMILES | CC1CC2C(O2)CC1C(=O)OCC=C |
| InChIKey | SZOBRFMKKNAYTL-UHFFFAOYSA-N |
Chemical Property Profile of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate
Property Insights of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate 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
What is the CAS number of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate?
The CAS number of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate is 10138-39-3.
What is the molecular formula of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate?
The molecular formula of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate is C11H16O3.
What is the molecular weight of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate?
The molecular weight of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate is 196.10994 g/mol.
Where can I buy Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate?
You can request a quote for Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.