Basic information
- Standard SMILES
C=C/C=C/[C@@H]1[C@@H](C(=O)O)C1(C)C- InChIKey
BWGWUTBUUWHTJX-KTERXBQFSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
Names & identifiers
- Preferred name
- (1R,3R)-3-((E)-buta-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
- IUPAC
- cis-(1R,3R)-3-[(1E)-buta-1,3-dienyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL3649529BWGWUTBUUWHTJX-KTERXBQFSA-N(1R,3R)-3-((E)-buta-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Database identifiers
- PubChem CID
- 86644402
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Related reactions
1 records
Compound notes
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