Basic information
- CAS
119366-72-2- Standard SMILES
CC1CCCCCC(=O)O1- InChIKey
NOGNGNMOBZCSSI-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 8-Methyloxocan-2-one
- IUPAC
- 8-methyloxocan-2-one
Names & synonyms
119366-72-28-methyloxocan-2-oneSCHEMBL179201DTXSID20559944
Database identifiers
- CAS
119366-72-2- PubChem CID
- 14408024
- DTXSID
DTXSID20559944- Nikkaji
- J734.877K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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