Basic information
- CAS
89546-36-1- Standard SMILES
CC(C)C(=O)CCC(C)(C)C=O- InChIKey
XTHGEDBBZYYXIA-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2,2,6-Trimethyl-5-oxoheptanal
- IUPAC
- 2,2,6-trimethyl-5-oxoheptanal
Names & synonyms
2,2,6-TRIMETHYL-5-OXOHEPTANAL89546-36-1DTXSID80527543
Database identifiers
- CAS
89546-36-1- PubChem CID
- 13205331
- DTXSID
DTXSID80527543
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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