Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)CC1CC1- InChIKey
GLUOVVAJQCNCLH-UHFFFAOYSA-N- Molecular formula
- C16H22O4S
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- ethyl (RS)-alpha-[[(cyclopropylmethyl)sulphonyl]methyl]hydrocinnamate
- IUPAC
- ethyl 2-benzyl-3-(cyclopropylmethylsulfonyl)propanoate
Names & synonyms
GLUOVVAJQCNCLH-UHFFFAOYSA-Nethyl (RS)-alpha-[[(cyclopropylmethyl)sulphonyl]methyl]hydrocinnamate
Database identifiers
- PubChem CID
- 86751664
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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