3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile

C25H33NOSi — CID 151158205

IUPAC3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile
SMILESC=C(c1cccc(C#N)c1)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C
InChIInChI=1S/C25H33NOSi/c1-17(2)28(18(3)4,19(5)6)27-24-12-13-25(20(7)14-24)21(8)23-11-9-10-22(15-23)16-26/h9-15,17-19H,8H2,1-7H3
InChIKeyMZRXAFPVVRFKES-UHFFFAOYSA-N
MW391.63 g/mol
LogP7.48
Rot. Bonds7

About 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile

3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile (PubChem CID 151158205) has the molecular formula C25H33NOSi and a molecular weight of 391.63 g/mol. Its IUPAC name is 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile
PubChem CID151158205
Molecular FormulaC25H33NOSi
Molecular Weight391.63 g/mol
Exact Mass391.23
IUPAC Name3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile
SMILESC=C(c1cccc(C#N)c1)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C
InChIInChI=1S/C25H33NOSi/c1-17(2)28(18(3)4,19(5)6)27-24-12-13-25(20(7)14-24)21(8)23-11-9-10-22(15-23)16-26/h9-15,17-19H,8H2,1-7H3
InChIKeyMZRXAFPVVRFKES-UHFFFAOYSA-N
XLogP7.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.63
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenoxy)-tri(propan-2-yl)silane
CID 10356220
3-[1-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]ethenyl]benzonitrile;3-[1-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]ethenyl]benzonitrile
CID 158824847
CID 89180414
CID 89180414
[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-cyanobenzoate
CID 18076172
[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923
(4-ethylphenyl) 3-cyanobenzoate
CID 4814388
3-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]benzonitrile
CID 89247823
[(1S)-1-(1,3-thiazol-2-yl)ethyl] 3-cyanobenzoate
CID 96564318
(4-propoxyphenyl) 3-cyanobenzoate
CID 7747650
3-cyano-N,N-dimethylbenzenecarbothioamide
CID 156695114
3-(3-methylbutanoyl)benzonitrile
CID 58853951
2-[(3-cyanobenzoyl)-methylamino]propanoic acid
CID 62626883

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile?
The IUPAC name of 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile (CID 151158205) is 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile.
What is the SMILES notation for 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile?
The canonical SMILES for 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile is C=C(c1cccc(C#N)c1)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1C.
What is the InChIKey of 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile?
The InChIKey is MZRXAFPVVRFKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NOSi/c1-17(2)28(18(3)4,19(5)6)27-24-12-13-25(20(7)14-24)21(8)23-11-9-10-22(15-23)16-26/h9-15,17-19H,8H2,1-7H3.
What are the key properties of 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile?
3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile has a molecular weight of 391.63 g/mol, XLogP of 7.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-methyl-4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzonitrile is sourced from PubChem (CID 151158205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).