4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile

C23H29NSi — CID 139630644

IUPAC4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile
SMILESCCC=C[Si](CC)(CC)CCc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H29NSi/c1-4-7-17-25(5-2,6-3)18-16-20-8-12-22(13-9-20)23-14-10-21(19-24)11-15-23/h7-15,17H,4-6,16,18H2,1-3H3
InChIKeyCIOMLQCHBRXCOD-UHFFFAOYSA-N
MW347.58 g/mol
LogP6.76
Rot. Bonds8

About 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile

4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile (PubChem CID 139630644) has the molecular formula C23H29NSi and a molecular weight of 347.58 g/mol. Its IUPAC name is 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile
PubChem CID139630644
Molecular FormulaC23H29NSi
Molecular Weight347.58 g/mol
Exact Mass347.21
IUPAC Name4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile
SMILESCCC=C[Si](CC)(CC)CCc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H29NSi/c1-4-7-17-25(5-2,6-3)18-16-20-8-12-22(13-9-20)23-14-10-21(19-24)11-15-23/h7-15,17H,4-6,16,18H2,1-3H3
InChIKeyCIOMLQCHBRXCOD-UHFFFAOYSA-N
XLogP6.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.58
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[4-(7-triethylsilylheptyl)phenyl]benzonitrile
CID 139630757
4-[4-[2-[[[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630753
4-[4-(2-sulfanylethyl)phenyl]benzonitrile
CID 101455253
4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile
CID 139630788
4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630539
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
4-(2-hydroxyethyl)benzonitrile
CID 2800815
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257
4-[4-[3-(2-ethoxyethoxy)propyl]phenyl]benzonitrile
CID 143637420
1-[2-[4-[(E)-hex-3-enyl]phenyl]ethynyl]-4-(4-methylphenyl)benzene
CID 139764861

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile (CID 139630644) is 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile is CCC=C[Si](CC)(CC)CCc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile?
The InChIKey is CIOMLQCHBRXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NSi/c1-4-7-17-25(5-2,6-3)18-16-20-8-12-22(13-9-20)23-14-10-21(19-24)11-15-23/h7-15,17H,4-6,16,18H2,1-3H3.
What are the key properties of 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile?
4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile has a molecular weight of 347.58 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[but-1-enyl(diethyl)silyl]ethyl]phenyl]benzonitrile is sourced from PubChem (CID 139630644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).