2,2-Dimethyl-propionic acid 3-oxo-4-(tetrahydro-pyran-4-ylmethyl)-2-(2,4,6-trimethyl-phenyl)-cyclopent-1-enyl ester
Basic information
- Standard SMILES
Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC(CC3CCOCC3)C2=O)c(C)c1- InChIKey
RCAZDFGJLQAQNX-UHFFFAOYSA-N- Molecular formula
- C25H34O4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-propionic acid 3-oxo-4-(tetrahydro-pyran-4-ylmethyl)-2-(2,4,6-trimethyl-phenyl)-cyclopent-1-enyl ester
- IUPAC
- [4-(oxan-4-ylmethyl)-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL1652524RCAZDFGJLQAQNX-UHFFFAOYSA-N2,2-dimethyl-propionic acid 3-oxo-4-(tetrahydro-pyran-4-ylmethyl)-2-(2,4,6-trimethyl-phenyl)-cyclopent-1-enyl ester
Database identifiers
- PubChem CID
- 44555409
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
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Related reactions
1 records
Compound notes
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