3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile

C18H19NOSi — CID 12921434

IUPAC3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile
SMILESC[Si](C)(C)OC(C#N)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NOSi/c1-21(2,3)20-17(14-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyCLDQSOFKBCVVNL-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.82
Rot. Bonds4

About 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile

3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile (PubChem CID 12921434) has the molecular formula C18H19NOSi and a molecular weight of 293.44 g/mol. Its IUPAC name is 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile.

Molecular Properties

Compound Name3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile
PubChem CID12921434
Molecular FormulaC18H19NOSi
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile
SMILESC[Si](C)(C)OC(C#N)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NOSi/c1-21(2,3)20-17(14-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyCLDQSOFKBCVVNL-UHFFFAOYSA-N
XLogP4.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-(4-phenyl-4-trimethylsilylbuta-2,3-dien-2-yl)oxysilane
CID 102523679
[(E)-2-chloro-1-phenylprop-1-enoxy]-trimethylsilane
CID 11172518
CID 101079672
CID 101079672
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240315
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240316
(1Z)-1,4,4-triphenyl-N-trimethylsilyl-3-trimethylsilyloxybuta-1,3-dien-1-amine
CID 12023313
2-hydroxyimino-2-phenylacetonitrile;methyl cyanate
CID 173433302
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
2,3-dibromo-3-phenylprop-2-enenitrile
CID 54113600
2-phenyl-3-sulfanylideneprop-2-enenitrile
CID 12552733

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile?
The IUPAC name of 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile (CID 12921434) is 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile.
What is the SMILES notation for 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile?
The canonical SMILES for 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile is C[Si](C)(C)OC(C#N)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile?
The InChIKey is CLDQSOFKBCVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOSi/c1-21(2,3)20-17(14-19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3.
What are the key properties of 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile?
3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile has a molecular weight of 293.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-2-trimethylsilyloxyprop-2-enenitrile is sourced from PubChem (CID 12921434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).