tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C28H41NO5Si — CID 11016561

IUPACtert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO)OC1(C)C
InChIInChI=1S/C28H41NO5Si/c1-26(2,3)34-25(31)29-23(24(19-30)33-28(29,7)8)20-32-35(27(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-24,30H,19-20H2,1-8H3/t23-,24-/m1/s1
InChIKeyDBIQLCPQSSNRMI-DNQXCXABSA-N
MW499.72 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11016561) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11016561
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Nametert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO)OC1(C)C
InChIInChI=1S/C28H41NO5Si/c1-26(2,3)34-25(31)29-23(24(19-30)33-28(29,7)8)20-32-35(27(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-24,30H,19-20H2,1-8H3/t23-,24-/m1/s1
InChIKeyDBIQLCPQSSNRMI-DNQXCXABSA-N
XLogP4.30
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11016561) is tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO)OC1(C)C.
What is the InChIKey of tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DBIQLCPQSSNRMI-DNQXCXABSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-26(2,3)34-25(31)29-23(24(19-30)33-28(29,7)8)20-32-35(27(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-24,30H,19-20H2,1-8H3/t23-,24-/m1/s1.
What are the key properties of tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 499.72 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11016561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).