tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane

C38H64O3Si3 — CID 11331241

IUPACtert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
SMILESC#C[C@@H](C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H64O3Si3/c1-14-34(41-43(31(5)6,32(7)8)33(9)10)30-35(40-42(15-2,16-3)17-4)28-29-39-44(38(11,12)13,36-24-20-18-21-25-36)37-26-22-19-23-27-37/h1,18-27,31-35H,15-17,28-30H2,2-13H3/t34-,35+/m0/s1
InChIKeyAWWCDIHZBKLLDX-OIDHKYIRSA-N
MW653.19 g/mol
LogP9.93
Rot. Bonds18

About tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane

tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane (PubChem CID 11331241) has the molecular formula C38H64O3Si3 and a molecular weight of 653.19 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
PubChem CID11331241
Molecular FormulaC38H64O3Si3
Molecular Weight653.19 g/mol
Exact Mass652.42
IUPAC Nametert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
SMILESC#C[C@@H](C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H64O3Si3/c1-14-34(41-43(31(5)6,32(7)8)33(9)10)30-35(40-42(15-2,16-3)17-4)28-29-39-44(38(11,12)13,36-24-20-18-21-25-36)37-26-22-19-23-27-37/h1,18-27,31-35H,15-17,28-30H2,2-13H3/t34-,35+/m0/s1
InChIKeyAWWCDIHZBKLLDX-OIDHKYIRSA-N
XLogP9.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.19
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 10030936
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-[(3R)-3-(2-methyl-1,3-oxazol-4-yl)-3-triethylsilyloxypropoxy]-diphenylsilane
CID 101050304
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane (CID 11331241) is tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane is C#C[C@@H](C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane?
The InChIKey is AWWCDIHZBKLLDX-OIDHKYIRSA-N. The full InChI is InChI=1S/C38H64O3Si3/c1-14-34(41-43(31(5)6,32(7)8)33(9)10)30-35(40-42(15-2,16-3)17-4)28-29-39-44(38(11,12)13,36-24-20-18-21-25-36)37-26-22-19-23-27-37/h1,18-27,31-35H,15-17,28-30H2,2-13H3/t34-,35+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane?
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane has a molecular weight of 653.19 g/mol, XLogP of 9.93, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane is sourced from PubChem (CID 11331241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).