tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane

C33H44O4SSi — CID 58627434

IUPACtert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane
SMILESCC1C(Sc2ccccc2)OC(CO[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C33H44O4SSi/c1-25-30(34-22-26-16-10-7-11-17-26)31(35-23-27-18-12-8-13-19-27)29(24-36-39(5,6)33(2,3)4)37-32(25)38-28-20-14-9-15-21-28/h7-21,25,29-32H,22-24H2,1-6H3
InChIKeyMGLZDRLGTJEGMR-UHFFFAOYSA-N
MW564.86 g/mol
LogP8.33
Rot. Bonds11

About tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane (PubChem CID 58627434) has the molecular formula C33H44O4SSi and a molecular weight of 564.86 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane
PubChem CID58627434
Molecular FormulaC33H44O4SSi
Molecular Weight564.86 g/mol
Exact Mass564.27
IUPAC Nametert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane
SMILESCC1C(Sc2ccccc2)OC(CO[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C33H44O4SSi/c1-25-30(34-22-26-16-10-7-11-17-26)31(35-23-27-18-12-8-13-19-27)29(24-36-39(5,6)33(2,3)4)37-32(25)38-28-20-14-9-15-21-28/h7-21,25,29-32H,22-24H2,1-6H3
InChIKeyMGLZDRLGTJEGMR-UHFFFAOYSA-N
XLogP8.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11071610
Ethyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside
CID 10896107
(2R,3S,4R,4aS,10bS)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,5,10b-hexahydrothiochromeno[4,3-b]pyran
CID 118715644
Phenyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside
CID 10875084
(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran
CID 11081093
Alpha-d-mannopyranoside, phenyl 2,3,4,6-tetrakis-o-(phenylmethyl)-1-thio-
CID 563133
(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CID 11104159
(2S,3S,4S,5S,6R)-2-(fluoromethyl)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
CID 66728357
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 69115861
(2R,3S,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylsulfanyloxane
CID 134936710
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane (CID 58627434) is tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane is CC1C(Sc2ccccc2)OC(CO[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane?
The InChIKey is MGLZDRLGTJEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O4SSi/c1-25-30(34-22-26-16-10-7-11-17-26)31(35-23-27-18-12-8-13-19-27)29(24-36-39(5,6)33(2,3)4)37-32(25)38-28-20-14-9-15-21-28/h7-21,25,29-32H,22-24H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane has a molecular weight of 564.86 g/mol, XLogP of 8.33, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[5-methyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]silane is sourced from PubChem (CID 58627434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).