Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S(2R,3R*)),3beta))

HCID 183045

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Basic information

CAS: 131380-60-4
Standard SMILES: C=CC(O)[C@H](O)CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
InChIKey: CATXPAWUNIAZOF-DBKFYXDTSA-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-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta))
IUPAC: cis-[(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Names & synonyms

131380-60-4Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta))DTXSID90927176(1S)-3-[(2R)-2,3-DIHYDROXYPENT-4-EN-1-YL]-2-METHYL-4-OXOCYCLOPENT-2-EN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE3-(2,3-Dihydroxypent-4-en-1-yl)-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

Database identifiers

CAS: 131380-60-4
PubChem CID: 183045
DTXSID: DTXSID90927176

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 666

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