Completing data — usually done within a minute
Basic information
- CAS
87539-07-9- Standard SMILES
CCC(C)(CC)C(=O)CC#N- InChIKey
GYQJBKNRGDNJOA-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- Hexanenitrile, 4-ethyl-4-methyl-3-oxo-
- IUPAC
- 4-ethyl-4-methyl-3-oxohexanenitrile
Names & synonyms
Hexanenitrile, 4-ethyl-4-methyl-3-oxo-87539-07-9DTXSID2073699RefChem:1086593DTXCID10485924-ethyl-4-methyl-3-oxohexanenitrileSCHEMBL9713568GYQJBKNRGDNJOA-UHFFFAOYSA-NMFCD02101993(2-ethyl-2-methylbutyryl)acetonitrile4-Ethyl-4-methyl-3-oxo-hexanenitrile1-ethyl-1-methylpropyl cyanomethyl ketone
Show more names
SY403936
Database identifiers
- CAS
87539-07-9- PubChem CID
- 159096
- DTXSID
DTXSID2073699- Nikkaji
- J551.961F
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
16 records
Compound notes
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