tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane

C19H33NO2Si — CID 134924163

IUPACtert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
SMILESCC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1C
InChIInChI=1S/C19H33NO2Si/c1-15(2)17-14-19(21-20(17)6,16-12-10-9-11-13-16)22-23(7,8)18(3,4)5/h9-13,15,17H,14H2,1-8H3/t17-,19-/m0/s1
InChIKeyORCBXWJKDLWKDJ-HKUYNNGSSA-N
MW335.56 g/mol
LogP5.15
Rot. Bonds4

About tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane

tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane (PubChem CID 134924163) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
PubChem CID134924163
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Nametert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
SMILESCC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1C
InChIInChI=1S/C19H33NO2Si/c1-15(2)17-14-19(21-20(17)6,16-12-10-9-11-13-16)22-23(7,8)18(3,4)5/h9-13,15,17H,14H2,1-8H3/t17-,19-/m0/s1
InChIKeyORCBXWJKDLWKDJ-HKUYNNGSSA-N
XLogP5.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134923906
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
tert-butyl-dimethyl-[1-methyl-2-[(1R)-1-phenylpropyl]cyclopropyl]oxysilane
CID 10902806
(4,4-diphenyl-2-propan-2-ylpyrrolidin-1-yl) thiohypoiodite
CID 135207767
(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane
CID 101394548
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
CID 46845307
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
cis-[(1R,2S,5R)-5-methyl-2-(1-phenylpropan-2-yl)cyclohexyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylcyclobutane-1-carboxylate
CID 101339371
tert-butyl-[(3S,4R)-2,2-dimethyl-3-methylsulfanyl-4-phenyloxetan-3-yl]oxy-dimethylsilane
CID 101051271

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane (CID 134924163) is tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane is CC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1C.
What is the InChIKey of tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane?
The InChIKey is ORCBXWJKDLWKDJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-15(2)17-14-19(21-20(17)6,16-12-10-9-11-13-16)22-23(7,8)18(3,4)5/h9-13,15,17H,14H2,1-8H3/t17-,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane?
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane has a molecular weight of 335.56 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane is sourced from PubChem (CID 134924163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).