Basic information
- CAS
6839-85-6- Standard SMILES
Cc1ccc(C(C)C)cc1CC(C)C=O- InChIKey
XYWUONSWEQQNKL-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 2-Methyl-3-[2-methyl-5-(propan-2-yl)phenyl]propanal
- IUPAC
- 2-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanal
Names & synonyms
6839-85-62-methyl-3-[2-methyl-5-(propan-2-yl)phenyl]propanalNSC22273SCHEMBL16245795DTXSID20281632NSC-22273
Database identifiers
- CAS
6839-85-6- PubChem CID
- 228985
- DTXSID
DTXSID20281632
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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