3-(Propan-2-yl)heptane-2,4-dione
Basic information
- CAS
6632-86-6- Standard SMILES
CCCC(=O)C(C(C)=O)C(C)C- InChIKey
DYWBIHSOZAASDY-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 3-(Propan-2-yl)heptane-2,4-dione
- IUPAC
- 3-propan-2-ylheptane-2,4-dione
Names & synonyms
6632-86-63-(propan-2-yl)heptane-2,4-dioneNSC428832,4-Heptanedione,3-(1-methylethyl)-SCHEMBL11687204DTXSID40285814NSC-42883DS-003613
Database identifiers
- CAS
6632-86-6- PubChem CID
- 238508
- DTXSID
DTXSID40285814
Properties
Computed structural properties
- XLogP
- 2
- 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
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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