6-Oxo-3-(propan-2-yl)heptanal
Basic information
- CAS
26238-82-4- Standard SMILES
CC(=O)CCC(CC=O)C(C)C- InChIKey
FPRPHSFWFCJDLK-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 6-Oxo-3-(propan-2-yl)heptanal
- IUPAC
- 6-oxo-3-propan-2-ylheptanal
Names & synonyms
26238-82-46-oxo-3-(propan-2-yl)heptanalNSC96754SCHEMBL3658742DTXSID10280977NSC19519NSC-19519NSC-96754
Database identifiers
- CAS
26238-82-4- PubChem CID
- 227620
- DTXSID
DTXSID10280977
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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