Basic information
- CAS
61154-45-8- Standard SMILES
CC(=O)CC1CCCCCC1=O- InChIKey
UJSZNPKZSFYPBL-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 2-(2-Oxopropyl)cycloheptanone
- IUPAC
- 2-(2-oxopropyl)cycloheptan-1-one
- English name
- 2-(2-Oxopropyl)cycloheptanone
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
2-(2-Oxopropyl)cycloheptanone2-AcetonylcycloheptanoneCycloheptanone, 2-(2-oxopropyl)-61154-45-8Cycloheptanone, 2-acetonyl-DTXSID50337136RefChem:251022DTXCID40288224UJSZNPKZSFYPBL-UHFFFAOYSA-N2-(2-oxopropyl)cycloheptan-1-oneSCHEMBL1978465DB-291679
Database identifiers
- CAS
61154-45-8- PubChem CID
- 538994
- DTXSID
DTXSID50337136- Nikkaji
- J47.177A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 128 °C · 128 °C(Press: 12 Torr)
- Density
- 1.0469 g/cm3 · 1.0469 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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