2-(3,3-Diethoxypropyl)-2-(3,4-dimethoxyphenyl)acetonitrile

HCID 13745752
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Basic information

Standard SMILES
CCOC(CCC(C#N)c1ccc(OC)c(OC)c1)OCC
InChIKey
YOBDTSUOZZXGGL-UHFFFAOYSA-N
Molecular formula
C17H25NO4
Average molar mass
307.4 g/mol

Names & identifiers

Preferred name
2-(3,3-Diethoxypropyl)-2-(3,4-dimethoxyphenyl)acetonitrile
IUPAC
2-(3,4-dimethoxyphenyl)-5,5-diethoxypentanenitrile

Names & synonyms

SCHEMBL10771226YOBDTSUOZZXGGL-UHFFFAOYSA-N2-(3,3-diethoxypropyl)-2-(3,4-dimethoxyphenyl)acetonitrile

Database identifiers

PubChem CID
13745752

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
60.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
22

Related reactions

11 records
New reaction record

Linked notes

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