tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C35H45NO4Si — CID 11766964

IUPACtert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C35H45NO4Si/c1-8-9-25-31(32-36(33(37)39-34(2,3)4)30(26-38-32)27-19-13-10-14-20-27)40-41(35(5,6)7,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h8,10-24,30-32H,1,9,25-26H2,2-7H3/t30-,31+,32+/m0/s1
InChIKeyNGGWTUPBPSBION-DCMFLLSESA-N
MW571.83 g/mol
LogP7.23
Rot. Bonds9

About tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11766964) has the molecular formula C35H45NO4Si and a molecular weight of 571.83 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID11766964
Molecular FormulaC35H45NO4Si
Molecular Weight571.83 g/mol
Exact Mass571.31
IUPAC Nametert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C35H45NO4Si/c1-8-9-25-31(32-36(33(37)39-34(2,3)4)30(26-38-32)27-19-13-10-14-20-27)40-41(35(5,6)7,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h8,10-24,30-32H,1,9,25-26H2,2-7H3/t30-,31+,32+/m0/s1
InChIKeyNGGWTUPBPSBION-DCMFLLSESA-N
XLogP7.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.83
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2S,4S)-2-pent-4-enoyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 101106074
tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15445289
tert-butyl (2S,4S)-2-(2-methylprop-1-enyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15548409
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enylpyrrolidine-1-carboxylate
CID 101384187
tert-butyl (2R,4R)-2-[(E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-5-oxopent-1-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15469064
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 178077601
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (3S)-2-[(4S)-2-benzhydryl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-4-methylpentanoate
CID 59065921

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 11766964) is tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is C=CCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NGGWTUPBPSBION-DCMFLLSESA-N. The full InChI is InChI=1S/C35H45NO4Si/c1-8-9-25-31(32-36(33(37)39-34(2,3)4)30(26-38-32)27-19-13-10-14-20-27)40-41(35(5,6)7,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h8,10-24,30-32H,1,9,25-26H2,2-7H3/t30-,31+,32+/m0/s1.
What are the key properties of tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 571.83 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11766964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).