Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,5-dihydroxy-3-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2S*,3E)),3beta))-
Basic information
- CAS
131484-77-0- Standard SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C[C@H](O)/C=C/CO)=C2C)C1(C)C- InChIKey
GKMSWUGCSMDAHM-SNGBUOIUSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932405
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,5-dihydroxy-3-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2S*,3E)),3beta))-
- IUPAC
- cis-[(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
131484-77-0Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,5-dihydroxy-3-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2S*,3E)),3beta))-
Database identifiers
- CAS
131484-77-0- PubChem CID
- 6442771
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 664
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Compound notes
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