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

HCID 13745753
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Basic information

Standard SMILES
CCOC(CCC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)OCC
InChIKey
GPBCUPBBPPJTHE-UHFFFAOYSA-N
Molecular formula
C20H31NO4
Average molar mass
349.5 g/mol
Monoisotopic mass
349.22530847

Names & identifiers

Preferred name
2-(3,3-Diethoxypropyl)-2-(prop-2-yl)-2-(3,4-dimethoxyphenyl)acetonitrile
IUPAC
2-(3,4-dimethoxyphenyl)-5,5-diethoxy-2-propan-2-ylpentanenitrile

Names & synonyms

SCHEMBL10771230GPBCUPBBPPJTHE-UHFFFAOYSA-N2-(3,3-diethoxypropyl)-2-(prop-2-yl)-2-(3,4-dimethoxyphenyl)acetonitrile

Database identifiers

PubChem CID
13745753

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
60.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
25

Related reactions

8 records
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Compound notes

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