tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C33H47NO6Si — CID 52916233

IUPACtert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](CC=O)O2)COC1(C)C
InChIInChI=1S/C33H47NO6Si/c1-31(2,3)39-30(36)34-28(23-37-33(34,7)8)29-22-25(21-24(38-29)19-20-35)40-41(32(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,20,24-25,28-29H,19,21-23H2,1-8H3/t24-,25-,28-,29-/m1/s1
InChIKeyAIGCVEQWTWMCSQ-WPUBFDFZSA-N
MW581.83 g/mol
LogP5.44
Rot. Bonds7

About tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 52916233) has the molecular formula C33H47NO6Si and a molecular weight of 581.83 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID52916233
Molecular FormulaC33H47NO6Si
Molecular Weight581.83 g/mol
Exact Mass581.32
IUPAC Nametert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](CC=O)O2)COC1(C)C
InChIInChI=1S/C33H47NO6Si/c1-31(2,3)39-30(36)34-28(23-37-33(34,7)8)29-22-25(21-24(38-29)19-20-35)40-41(32(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,20,24-25,28-29H,19,21-23H2,1-8H3/t24-,25-,28-,29-/m1/s1
InChIKeyAIGCVEQWTWMCSQ-WPUBFDFZSA-N
XLogP5.44
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.83
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 52916233) is tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](CC=O)O2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AIGCVEQWTWMCSQ-WPUBFDFZSA-N. The full InChI is InChI=1S/C33H47NO6Si/c1-31(2,3)39-30(36)34-28(23-37-33(34,7)8)29-22-25(21-24(38-29)19-20-35)40-41(32(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,20,24-25,28-29H,19,21-23H2,1-8H3/t24-,25-,28-,29-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 581.83 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R,4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 52916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).