1-(2,5-Dimethylphenyl)dodecan-1-one
Basic information
- CAS
101493-88-3- Standard SMILES
CCCCCCCCCCCC(=O)c1cc(C)ccc1C- InChIKey
LAYJKDXVCRNLGE-UHFFFAOYSA-N- Molecular formula
- C20H32O
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.24531564
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylphenyl)dodecan-1-one
- IUPAC
- 1-(2,5-dimethylphenyl)dodecan-1-one
Names & synonyms
1-(2,5-DIMETHYLPHENYL)DODECAN-1-ONE101493-88-3DTXSID50545178RefChem:222950DTXCID10495963AKOS014784869
Database identifiers
- CAS
101493-88-3- PubChem CID
- 13619447
- DTXSID
DTXSID50545178- Nikkaji
- J1.951.254A
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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