Basic information
- CAS
55649-87-1- Standard SMILES
CC1CCC(C)C(=O)CCCCCC(=O)O1- InChIKey
JTVSVAIMUGFDKG-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- 9,12-Dimethyloxacyclododecane-2,8-dione
- IUPAC
- 9,12-dimethyl-oxacyclododecane-2,8-dione
- English name
- 9,12-Dimethyloxacyclododecane-2,8-dione
- Molecular formula
- C13H22O3
- Molecular weight
- 226.31
Names & synonyms
9,12-Dimethyloxacyclododecane-2,8-dione55649-87-1DTXSID00337641RefChem:312628DTXCID802887289,12-dimethyl-1-oxacyclododecane-2,8-dioneOxacyclododecane-2,8-dione, 9,12-dimethyl-SCHEMBL13317124JTVSVAIMUGFDKG-UHFFFAOYSA-N9,12-Dimethyloxacyclododecane-2,8-dione #
Database identifiers
- CAS
55649-87-1- PubChem CID
- 543789
- DTXSID
DTXSID00337641- Nikkaji
- J125.755B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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