Basic information
- Standard SMILES
COC(=O)C1(C)OCC(c2ccccc2)(c2ccccc2)CO1- InChIKey
KMHMNROLBASRKD-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-Methyl-5,5-diphenyl[1,3]dioxane-2-carboxylate
- IUPAC
- methyl 2-methyl-5,5-diphenyl-1,3-dioxane-2-carboxylate
Names & synonyms
SCHEMBL6979914KMHMNROLBASRKD-UHFFFAOYSA-NMethyl 2-Methyl-5,5-diphenyl[1,3]dioxane-2-carboxylate
Database identifiers
- PubChem CID
- 15428822
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Related reactions
2 records
Compound notes
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