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

C21H33NO6Si — CID 12065927

IUPACbenzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1CC(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
InChIKeyJRCOGMZVQCBHIO-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.28
Rot. Bonds7

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

benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate (PubChem CID 12065927) has the molecular formula C21H33NO6Si and a molecular weight of 423.58 g/mol. Its IUPAC name is benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
PubChem CID12065927
Molecular FormulaC21H33NO6Si
Molecular Weight423.58 g/mol
Exact Mass423.21
IUPAC Namebenzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)CC1CC(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
InChIKeyJRCOGMZVQCBHIO-UHFFFAOYSA-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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Related Compounds

benzyl (4S,5S)-4-(3-methoxy-3-oxopropyl)-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 57125604
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
CID 11198020
benzyl N-[tert-butyl(dimethyl)silyl]oxy-N-[(3R)-1-oxohexan-3-yl]carbamate
CID 16120781
benzyl (3R)-5-oxo-3-propyl-1,2-oxazolidine-2-carboxylate
CID 101848245
(3R)-3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethoxycarbonylamino]hexanoic acid
CID 135056097
benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate
CID 10786763
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 10787572
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxy-1-oxopent-4-en-2-yl)pyrrolidine-1-carboxylate
CID 15416235
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15671514
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[hydroxy(phenylmethoxycarbonyl)amino]methyl]butanoate
CID 57241135
benzyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 59659411
Benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 66993562

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate (CID 12065927) is benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate is COC(=O)CC1CC(CO[Si](C)(C)C(C)(C)C)ON1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is JRCOGMZVQCBHIO-UHFFFAOYSA-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.
What are the key properties of benzyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate?
benzyl 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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methoxy-2-oxoethyl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 12065927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).