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Basic information
- Standard SMILES
CC1(C)[C@H](C(=O)OCc2ccccc2)[C@@H]1/C=C\C(=O)O- InChIKey
RMHLCBYWWGVZCG-YOHTUHHASA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
Names & identifiers
- Preferred name
- benzyl (1R,cis,Z) 2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate
- IUPAC
- (Z)-3-[(1S,3R)-2,2-dimethyl-3-phenylmethoxycarbonylcyclopropyl]prop-2-enoic acid
Names & synonyms
RMHLCBYWWGVZCG-YOHTUHHASA-Nbenzyl (1R,cis,Z) 2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylatebenzyl(1R,cis,Z)2,2-dimethyl-3- [3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate
Database identifiers
- PubChem CID
- 86740331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
7 records
Compound notes
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