methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate

C26H33NO5Si — CID 177441848

IUPACmethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate
SMILESCOC(=O)/C(=C(\C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCOC1=O
InChIInChI=1S/C26H33NO5Si/c1-20(23(24(28)30-5)27-17-19-31-25(27)29)16-18-32-33(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15H,16-19H2,1-5H3/b23-20-
InChIKeyXYBSMPGADBRVTJ-ATJXCDBQSA-N
MW467.64 g/mol
LogP3.85
Rot. Bonds8

About methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate

methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate (PubChem CID 177441848) has the molecular formula C26H33NO5Si and a molecular weight of 467.64 g/mol. Its IUPAC name is methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate
PubChem CID177441848
Molecular FormulaC26H33NO5Si
Molecular Weight467.64 g/mol
Exact Mass467.21
IUPAC Namemethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate
SMILESCOC(=O)/C(=C(\C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCOC1=O
InChIInChI=1S/C26H33NO5Si/c1-20(23(24(28)30-5)27-17-19-31-25(27)29)16-18-32-33(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15H,16-19H2,1-5H3/b23-20-
InChIKeyXYBSMPGADBRVTJ-ATJXCDBQSA-N
XLogP3.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11351825
dimethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 24787515
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate
CID 135023890
1-O-tert-butyl 5-O-methyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2,3-dihydropyrrole-1,5-dicarboxylate
CID 68640757
1-O-tert-butyl 5-O-methyl (3S)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-4-methyl-2,3-dihydropyrrole-1,5-dicarboxylate
CID 68658539
tert-butyl (4S)-4-[(E,1R)-1-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 156673909
tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-[(E)-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 10875050
1-O-tert-butyl 5-O-methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1,5-dicarboxylate
CID 11179461
1-O-tert-butyl 5-O-ethyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydropyrrole-1,5-dicarboxylate
CID 11283337
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11294892
4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11503000
dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 101010333

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate?
The IUPAC name of methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate (CID 177441848) is methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate.
What is the SMILES notation for methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate?
The canonical SMILES for methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate is COC(=O)/C(=C(\C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCOC1=O.
What is the InChIKey of methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate?
The InChIKey is XYBSMPGADBRVTJ-ATJXCDBQSA-N. The full InChI is InChI=1S/C26H33NO5Si/c1-20(23(24(28)30-5)27-17-19-31-25(27)29)16-18-32-33(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15H,16-19H2,1-5H3/b23-20-.
What are the key properties of methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate?
methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate has a molecular weight of 467.64 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate is sourced from PubChem (CID 177441848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).