tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

C24H44O3SSi2 — CID 135022444

IUPACtert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCC1O[C@@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O3SSi2/c1-18-22(27-30(10,11)24(5,6)7)20(26-29(8,9)23(2,3)4)17-21(25-18)28-19-15-13-12-14-16-19/h12-16,18,20-22H,17H2,1-11H3/t18?,20-,21+,22?/m1/s1
InChIKeyFPVSCADEUYUYQI-SGCCOESXSA-N
MW468.85 g/mol
LogP7.69
Rot. Bonds6

About tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (PubChem CID 135022444) has the molecular formula C24H44O3SSi2 and a molecular weight of 468.85 g/mol. Its IUPAC name is tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
PubChem CID135022444
Molecular FormulaC24H44O3SSi2
Molecular Weight468.85 g/mol
Exact Mass468.25
IUPAC Nametert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCC1O[C@@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O3SSi2/c1-18-22(27-30(10,11)24(5,6)7)20(26-29(8,9)23(2,3)4)17-21(25-18)28-19-15-13-12-14-16-19/h12-16,18,20-22H,17H2,1-11H3/t18?,20-,21+,22?/m1/s1
InChIKeyFPVSCADEUYUYQI-SGCCOESXSA-N
XLogP7.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
[(2R,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyloxan-2-yl]methanol
CID 25137433
(2S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyl-2-phenylsulfanyloxan-3-one
CID 11292012
(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine
CID 101101693
tert-butyl-[(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4R,5R,6R)-5-methoxy-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-dimethylsilane
CID 73293157
[(4R,6R)-3-[(2R,4R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 135022715
[(4R,6R)-3-[(2S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 135022559
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882
(2S,3R,4S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-phenylsulfanyloxan-4-ol
CID 11225595
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (CID 135022444) is tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is CC1O[C@@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is FPVSCADEUYUYQI-SGCCOESXSA-N. The full InChI is InChI=1S/C24H44O3SSi2/c1-18-22(27-30(10,11)24(5,6)7)20(26-29(8,9)23(2,3)4)17-21(25-18)28-19-15-13-12-14-16-19/h12-16,18,20-22H,17H2,1-11H3/t18?,20-,21+,22?/m1/s1.
What are the key properties of tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 468.85 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135022444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).