2aMethyla4aoxoa3a(propa2ayna1ayl)cyclopenta2aena1a yl (3S)a2,2adimethyla3a(2amethylpropa1aena1a yl)cyclopropanea1acarboxylate
Basic information
- Standard SMILES
C#CCC1=C(C)C(OC(=O)C2[C@H](C=C(C)C)C2(C)C)CC1=O- InChIKey
SMKRKQBMYOFFMU-OOHWJJMZSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- 2aMethyla4aoxoa3a(propa2ayna1ayl)cyclopenta2aena1a yl (3S)a2,2adimethyla3a(2amethylpropa1aena1a yl)cyclopropanea1acarboxylate
- IUPAC
- (2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) (3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
DTXSID5013492502aMethyla4aoxoa3a(propa2ayna1ayl)cyclopenta2aena1a yl (3S)a2,2adimethyla3a(2amethylpropa1aena1a yl)cyclopropanea1acarboxylate
Database identifiers
- PubChem CID
- 171042012
- DTXSID
DTXSID501349250
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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