Basic information
- Standard SMILES
CC(C)OC(=O)C=CC1C(C(=O)[O-])C1(C)C- InChIKey
LWALACKURVQTAH-UHFFFAOYSA-M- Molecular formula
- C12H17O4-
- Average molar mass
- 225.26 g/mol
- Monoisotopic mass
- 225.11268402
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(3-isopropoxy-3-oxo-1-propenyl)-cyclopropane-carboxylate
- IUPAC
- 2,2-dimethyl-3-(3-oxo-3-propan-2-yloxyprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
LWALACKURVQTAH-UHFFFAOYSA-M2,2-dimethyl-3-(3-isopropoxy-3-oxo-1-propenyl)-cyclopropane-carboxylate
Database identifiers
- PubChem CID
- 73655271
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 322
Related reactions
4 records
Compound notes
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