benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate

C21H33NO6Si — CID 11487062

IUPACbenzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)ON1C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO6Si/c1-21(2,3)29(5,6)27-15-18-12-17(13-19(23)25-4)22(28-18)20(24)26-14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyJRCOGMZVQCBHIO-MSOLQXFVSA-N
MW423.58 g/mol
LogP4.28
Rot. Bonds7

About benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate

benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate (PubChem CID 11487062) has the molecular formula C21H33NO6Si and a molecular weight of 423.58 g/mol. Its IUPAC name is benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
PubChem CID11487062
Molecular FormulaC21H33NO6Si
Molecular Weight423.58 g/mol
Exact Mass423.21
IUPAC Namebenzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)ON1C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO6Si/c1-21(2,3)29(5,6)27-15-18-12-17(13-19(23)25-4)22(28-18)20(24)26-14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyJRCOGMZVQCBHIO-MSOLQXFVSA-N
XLogP4.28
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate (CID 11487062) is benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate is COC(=O)C[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)ON1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is JRCOGMZVQCBHIO-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H33NO6Si/c1-21(2,3)29(5,6)27-15-18-12-17(13-19(23)25-4)22(28-18)20(24)26-14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1.
What are the key properties of benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 423.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 11487062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).