tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane

C38H56O3SSi2 — CID 10941319

IUPACtert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C38H56O3SSi2/c1-30(29-40-43(8,9)37(2,3)4)35-27-31(28-36(41-35)42-32-19-13-10-14-20-32)25-26-39-44(38(5,6)7,33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,30-31,35-36H,25-29H2,1-9H3/t30-,31-,35-,36+/m1/s1
InChIKeyMCVGEJOXYOWHAX-IHCXARGYSA-N
MW649.10 g/mol
LogP9.52
Rot. Bonds12

About tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane (PubChem CID 10941319) has the molecular formula C38H56O3SSi2 and a molecular weight of 649.10 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane
PubChem CID10941319
Molecular FormulaC38H56O3SSi2
Molecular Weight649.10 g/mol
Exact Mass648.35
IUPAC Nametert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C38H56O3SSi2/c1-30(29-40-43(8,9)37(2,3)4)35-27-31(28-36(41-35)42-32-19-13-10-14-20-32)25-26-39-44(38(5,6)7,33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,30-31,35-36H,25-29H2,1-9H3/t30-,31-,35-,36+/m1/s1
InChIKeyMCVGEJOXYOWHAX-IHCXARGYSA-N
XLogP9.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.10
LogP ≤ 59.52
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

[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2,4-trimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681676
[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681678
2-[(7R)-9-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10-oxa-1,4-dithiaspiro[4.5]decan-7-yl]ethoxy-tert-butyl-diphenylsilane
CID 134847182
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
tert-butyl-[(2S)-2-[(2R,5S,6R)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 134969240
[(1R)-1-[(1S,2S)-2-(benzenesulfonylmethyl)cyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentoxy]-tert-butyl-diphenylsilane
CID 102002045
tert-butyl-diphenyl-[[(2R,3R,4S,5R,6S)-3,4,5-tributoxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methoxy]silane
CID 173668281
tert-butyl-[(4R,5S,6S)-5-(methoxymethoxy)-4,6-dimethyl-8-phenylsulfanyloctoxy]-diphenylsilane
CID 10460547
tert-butyl-[(1S,2R,3E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(phenylsulfanylmethyl)-3-(phenylsulfanylmethylidene)cyclohexyl]oxy-dimethylsilane
CID 10651002
tert-butyl-[(2S)-2-[(2R,5S)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 10815792
tert-butyl-[(1S,2E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(phenylsulfanylmethyl)-2-(phenylsulfanylmethylidene)cyclohexyl]oxy-dimethylsilane
CID 10817156
(2S)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propanal
CID 10929516

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane (CID 10941319) is tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1.
What is the InChIKey of tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane?
The InChIKey is MCVGEJOXYOWHAX-IHCXARGYSA-N. The full InChI is InChI=1S/C38H56O3SSi2/c1-30(29-40-43(8,9)37(2,3)4)35-27-31(28-36(41-35)42-32-19-13-10-14-20-32)25-26-39-44(38(5,6)7,33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,30-31,35-36H,25-29H2,1-9H3/t30-,31-,35-,36+/m1/s1.
What are the key properties of tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane has a molecular weight of 649.10 g/mol, XLogP of 9.52, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 10941319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).