Basic information
- CAS
36852-10-5- Standard SMILES
Cc1ccc(C(C)C)c(=O)cc1- InChIKey
FROZMQQADNZBNO-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 5-Methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-one
- IUPAC
- 5-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-one
- English name
- 2,4,6-Cycloheptatrien-1-one,5-methyl-2-(1-methylethyl)-(9CI)
- Molecular formula
- C11H14O
- Molecular weight
- 162.22826
Names & synonyms
36852-10-5DB-2808152,4,6-CYCLOHEPTATRIEN-1-ONE, 5-METHYL-2-(1-METHYLETHYL)-2,4,6-Cycloheptatrien-1-one,5-methyl-2-(1-methylethyl)-(9CI)
Database identifiers
- CAS
36852-10-5- PubChem CID
- 14530346
- Nikkaji
- J254.618C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 277
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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