tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H39NO5Si — CID 10862073

IUPACtert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@@H](CCO)O[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C19H39NO5Si/c1-17(2,3)24-16(22)20-14(13-23-19(20,7)8)15(11-12-21)25-26(9,10)18(4,5)6/h14-15,21H,11-13H2,1-10H3/t14-,15-/m1/s1
InChIKeyJMENGIRKSUCKPG-HUUCEWRRSA-N
MW389.61 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10862073) has the molecular formula C19H39NO5Si and a molecular weight of 389.61 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10862073
Molecular FormulaC19H39NO5Si
Molecular Weight389.61 g/mol
Exact Mass389.26
IUPAC Nametert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@@H](CCO)O[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C19H39NO5Si/c1-17(2,3)24-16(22)20-14(13-23-19(20,7)8)15(11-12-21)25-26(9,10)18(4,5)6/h14-15,21H,11-13H2,1-10H3/t14-,15-/m1/s1
InChIKeyJMENGIRKSUCKPG-HUUCEWRRSA-N
XLogP4.13
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
CID 88980900
tert-butyl 4-[(3S)-1-hydroxyhex-4-en-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175210367
tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68712818
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-4-[(1R,2S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86726822
tert-butyl 4-[(E,2R)-3-(hydroxymethyl)pent-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102308156
tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
CID 88980904
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10862073) is tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@@H](CCO)O[Si](C)(C)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JMENGIRKSUCKPG-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H39NO5Si/c1-17(2,3)24-16(22)20-14(13-23-19(20,7)8)15(11-12-21)25-26(9,10)18(4,5)6/h14-15,21H,11-13H2,1-10H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 389.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).