7-Nonenenitrile, 4,8-dimethyl-

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Basic information

CAS: 52671-32-6
Standard SMILES: CC(C)=CCCC(C)CCC#N
InChIKey: XBEJNXNMXKECFF-UHFFFAOYSA-N
Molecular formula: C11H19N
Average molar mass: 165.27 g/mol
Monoisotopic mass: 165.15174961

Names & identifiers

Preferred name: 7-Nonenenitrile, 4,8-dimethyl-
IUPAC: 4,8-dimethylnon-7-enenitrile

Names & synonyms

7-Nonenenitrile, 4,8-dimethyl-RefChem:5469304,8-dimethylnon-7-enenitrile4,8-Dimethyl-7-nonenenitrilestarbld0002436SCHEMBL48696624,8-dimethyl-non-7-enenitrileDTXSID50866274XBEJNXNMXKECFF-UHFFFAOYSA-NAKOS040694864

Database identifiers

CAS: 52671-32-6
PubChem CID: 40058
DTXSID: DTXSID50866274
Nikkaji: J201.484J

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 178

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Compound notes

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