2-Isopropyl-3-methyl-2-cyclohexen-1-one
Basic information
- CAS
7291-87-4- Standard SMILES
CC1=C(C(C)C)C(=O)CCC1- InChIKey
DODMAZCOMJAOQC-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2-Isopropyl-3-methyl-2-cyclohexen-1-one
- IUPAC
- 3-methyl-2-propan-2-ylcyclohex-2-en-1-one
Names & synonyms
2-isopropyl-3-methyl-2-cyclohexen-1-one7291-87-4DTXSID30435568RefChem:262343DTXCID803863943-methyl-2-propan-2-ylcyclohex-2-en-1-oneMethylisopropylcyclohexenon3-methyl-2-(propan-2-yl)cyclohex-2-en-1-oneSCHEMBL4212579
Database identifiers
- CAS
7291-87-4- PubChem CID
- 10103344
- DTXSID
DTXSID30435568- Nikkaji
- J1.570.199D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
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Compound notes
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