3-Propan-2-ylcyclohepta-2,6-dien-1-one
Basic information
- CAS
55076-46-5- Standard SMILES
CC(C)C1=CC(=O)C=CCC1- InChIKey
FGGQMJFPPGGCHL-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Names & identifiers
- Preferred name
- 3-Propan-2-ylcyclohepta-2,6-dien-1-one
- IUPAC
- 3-propan-2-ylcyclohepta-2,6-dien-1-one
- English name
- 2,6-Cycloheptadien-1-one,3-(1-methylethyl)-(9CI)
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
55076-46-5DB-3235392,6-CYCLOHEPTADIEN-1-ONE, 3-(1-METHYLETHYL)-2,6-Cycloheptadien-1-one,3-(1-methylethyl)-(9CI)
Database identifiers
- CAS
55076-46-5
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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