4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

C26H33NO3Si — CID 11503000

IUPAC4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OCC1C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO3Si/c1-5-19-27-22(21-29-25(27)28)14-12-13-20-30-31(26(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h5-13,15-18,22H,1,14,19-21H2,2-4H3/b13-12-
InChIKeyPIUZLQIRQWKNRL-SEYXRHQNSA-N
MW435.64 g/mol
LogP4.52
Rot. Bonds9

About 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11503000) has the molecular formula C26H33NO3Si and a molecular weight of 435.64 g/mol. Its IUPAC name is 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11503000
Molecular FormulaC26H33NO3Si
Molecular Weight435.64 g/mol
Exact Mass435.22
IUPAC Name4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OCC1C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO3Si/c1-5-19-27-22(21-29-25(27)28)14-12-13-20-30-31(26(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h5-13,15-18,22H,1,14,19-21H2,2-4H3/b13-12-
InChIKeyPIUZLQIRQWKNRL-SEYXRHQNSA-N
XLogP4.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11503000) is 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OCC1C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is PIUZLQIRQWKNRL-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H33NO3Si/c1-5-19-27-22(21-29-25(27)28)14-12-13-20-30-31(26(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h5-13,15-18,22H,1,14,19-21H2,2-4H3/b13-12-.
What are the key properties of 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 435.64 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11503000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).