4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one

C31H29NO3Si — CID 139254692

IUPAC4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1/C(=C\c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO3Si/c1-31(2)24-34-30(33)32(31)29(23-25-15-7-3-8-16-25)35-36(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23H,24H2,1-2H3/b29-23+
InChIKeyKHSDYZGBPSTZFX-BYNJWEBRSA-N
MW491.66 g/mol
LogP4.90
Rot. Bonds7

About 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one (PubChem CID 139254692) has the molecular formula C31H29NO3Si and a molecular weight of 491.66 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one
PubChem CID139254692
Molecular FormulaC31H29NO3Si
Molecular Weight491.66 g/mol
Exact Mass491.19
IUPAC Name4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1/C(=C\c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO3Si/c1-31(2)24-34-30(33)32(31)29(23-25-15-7-3-8-16-25)35-36(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23H,24H2,1-2H3/b29-23+
InChIKeyKHSDYZGBPSTZFX-BYNJWEBRSA-N
XLogP4.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-phenyl-2-triphenylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978331
3-[(E)-2-cyclohexyl-1-triphenylsilyloxyethenyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 139254693
4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
CID 164684503
ZINC;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
CID 164684506
3-[(Z)-2-[methyl(diphenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 141535281
4,4-Dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one
CID 164684507

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one (CID 139254692) is 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1/C(=C\c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one?
The InChIKey is KHSDYZGBPSTZFX-BYNJWEBRSA-N. The full InChI is InChI=1S/C31H29NO3Si/c1-31(2)24-34-30(33)32(31)29(23-25-15-7-3-8-16-25)35-36(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23H,24H2,1-2H3/b29-23+.
What are the key properties of 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one has a molecular weight of 491.66 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139254692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).