Basic information
- Standard SMILES
CC1(C)C(C=CC(=O)OCC2CC2)C1C(=O)O- InChIKey
IGUWGEBAHCMQSS-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(3-cyclopropylmethoxy-3-oxo-1-propenyl) cyclopropane-carboxylic acid
- IUPAC
- 3-[3-(cyclopropylmethoxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL10545411IGUWGEBAHCMQSS-UHFFFAOYSA-N2,2-dimethyl-3-(3-cyclopropylmethoxy-3-oxo-1-propenyl) cyclopropane-carboxylic acid
Database identifiers
- PubChem CID
- 53915596
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
24 records
Compound notes
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