Basic information
- Standard SMILES
CCC(C=O)(C=O)COCc1ccccc1- InChIKey
BRRMLZWARRCTGW-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
Names & identifiers
- Preferred name
- 2-Benzyloxymethyl-2-ethyl-propandial
- IUPAC
- 2-ethyl-2-(phenylmethoxymethyl)propanedial
Names & synonyms
SCHEMBL9521927BRRMLZWARRCTGW-UHFFFAOYSA-N2-Benzyloxymethyl-2-ethyl-propandial
Database identifiers
- PubChem CID
- 53697663
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
1 records
Compound notes
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