Basic information
- CAS
5777-73-1- Standard SMILES
CCC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O- InChIKey
NZKIRHFOLVYKFT-UHFFFAOYSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Names & identifiers
- Preferred name
- 2-Methyl-4-oxo-3-(2-penten-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
- IUPAC
- (2-methyl-4-oxo-3-pent-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
DTXSID408598722-Methyl-4-oxo-3-(2-penten-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate5777-73-1RefChem:263428DTXCID20809895NS00008072
Database identifiers
- CAS
5777-73-1- PubChem CID
- 20533
- DTXSID
DTXSID40859872
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 615
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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