4-(2-Ethylhexyloxy)benzonitrile

HCID 19086187
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Basic information

Standard SMILES
CCCCC(CC)COc1ccc(C#N)cc1
InChIKey
OWDGGOGUYBUCHE-UHFFFAOYSA-N
Molecular formula
C15H21NO
Average molar mass
231.33 g/mol
Monoisotopic mass
231.16231429

Names & identifiers

Preferred name
4-(2-Ethylhexyloxy)benzonitrile
IUPAC
4-(2-ethylhexoxy)benzonitrile

Names & synonyms

SCHEMBL10066064-(2-ethylhexyloxy)benzonitrileOWDGGOGUYBUCHE-UHFFFAOYSA-N

Database identifiers

PubChem CID
19086187

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
17

Related reactions

4 records
New reaction record

Linked notes

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