4-(3,3-Dimethyl-1-methylene-butyl)-benzonitrile

HCID 57656233
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Basic information

Standard SMILES
C=C(CC(C)(C)C)c1ccc(C#N)cc1
InChIKey
CNKVJYINQKZGDK-UHFFFAOYSA-N
Molecular formula
C14H17N
Average molar mass
199.29 g/mol
Monoisotopic mass
199.13609955

Names & identifiers

Preferred name
4-(3,3-Dimethyl-1-methylene-butyl)-benzonitrile
IUPAC
4-(4,4-dimethylpent-1-en-2-yl)benzonitrile

Names & synonyms

SCHEMBL508101CNKVJYINQKZGDK-UHFFFAOYSA-N4-(3,3-Dimethyl-1-methylene-butyl)-benzonitrile

Database identifiers

PubChem CID
57656233

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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