Basic information
- Standard SMILES
C=C1C(Cl)CCC(C)(C)C1CCC(=O)CCC(=O)OC(C)(C)C- InChIKey
HRBWZTGOZUEUBR-UHFFFAOYSA-N- Molecular formula
- C19H31ClO3
- Average molar mass
- 342.9 g/mol
Names & identifiers
- Preferred name
- Tert.butyl 6-(2-methylidene-6,6-dimethyl-3-chlorocyclohex-1-yl)-4-oxo-hexanoate
- IUPAC
- tert-butyl 6-(5-chloro-2,2-dimethyl-6-methylidenecyclohexyl)-4-oxohexanoate
Names & synonyms
SCHEMBL8758487HRBWZTGOZUEUBR-UHFFFAOYSA-Ntert.butyl 6-(2-methylidene-6,6-dimethyl-3-chlorocyclohex-1-yl)-4-oxo-hexanoate
Database identifiers
- PubChem CID
- 22362153
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
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