tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane

C29H43NO3Si2 — CID 101050304

IUPACtert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1coc(C)n1
InChIInChI=1S/C29H43NO3Si2/c1-8-34(9-2,10-3)33-28(27-23-31-24(4)30-27)21-22-32-35(29(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,23,28H,8-10,21-22H2,1-7H3/t28-/m1/s1
InChIKeyIJLLIIBKRHZNSC-MUUNZHRXSA-N
MW509.84 g/mol
LogP7.01
Rot. Bonds12

About tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane

tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane (PubChem CID 101050304) has the molecular formula C29H43NO3Si2 and a molecular weight of 509.84 g/mol. Its IUPAC name is tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
PubChem CID101050304
Molecular FormulaC29H43NO3Si2
Molecular Weight509.84 g/mol
Exact Mass509.28
IUPAC Nametert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1coc(C)n1
InChIInChI=1S/C29H43NO3Si2/c1-8-34(9-2,10-3)33-28(27-23-31-24(4)30-27)21-22-32-35(29(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,23,28H,8-10,21-22H2,1-7H3/t28-/m1/s1
InChIKeyIJLLIIBKRHZNSC-MUUNZHRXSA-N
XLogP7.01
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.84
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 10030936
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
4-[tert-butyl(diphenyl)silyl]oxy-2-dimethoxyphosphorylbutanoic acid
CID 71561246
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane (CID 101050304) is tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane is CC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1coc(C)n1.
What is the InChIKey of tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane?
The InChIKey is IJLLIIBKRHZNSC-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H43NO3Si2/c1-8-34(9-2,10-3)33-28(27-23-31-24(4)30-27)21-22-32-35(29(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,23,28H,8-10,21-22H2,1-7H3/t28-/m1/s1.
What are the key properties of tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane?
tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane has a molecular weight of 509.84 g/mol, XLogP of 7.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane is sourced from PubChem (CID 101050304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).