[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane

C33H38O4SSi — CID 10099298

IUPAC[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane
SMILESCOCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(S(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C33H38O4SSi/c1-35-26-36-31(32(39(2,3)4)38(34)30-23-15-8-16-24-30)25-37-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?,38?/m0/s1
InChIKeyCRNAVWZMLUMSGF-WGRRYGRBSA-N
MW558.82 g/mol
LogP7.04
Rot. Bonds13

About [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane

[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane (PubChem CID 10099298) has the molecular formula C33H38O4SSi and a molecular weight of 558.82 g/mol. Its IUPAC name is [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane
PubChem CID10099298
Molecular FormulaC33H38O4SSi
Molecular Weight558.82 g/mol
Exact Mass558.23
IUPAC Name[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane
SMILESCOCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(S(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C33H38O4SSi/c1-35-26-36-31(32(39(2,3)4)38(34)30-23-15-8-16-24-30)25-37-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?,38?/m0/s1
InChIKeyCRNAVWZMLUMSGF-WGRRYGRBSA-N
XLogP7.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.82
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4S,6S)-2-(benzenesulfonyl)-1-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-4-methyl-6-phenylmethoxy-7-triethylsilyloxyheptan-3-one
CID 11182199
[(1R,4S)-3-(benzenesulfonyl)-4-[(E)-2-(methoxymethoxymethyl)-7-phenylmethoxyhept-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
CID 13830730
(2R,4R,5R,6R)-4-(benzenesulfinylmethyl)-5-methyl-2-phenyl-6-(2-phenylethyl)-1,3-dioxane
CID 46218358
tert-butyl-[(3S,6R)-6-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-6-phenylsulfanylhex-4-ynoxy]-diphenylsilane
CID 72375793
(4R,5R)-4-(benzenesulfinylmethyl)-5-(benzhydryloxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 134872952
(4S,5R)-2,2-diphenyl-4-(phenylmethoxymethyl)-5-(phenylsulfanylmethyl)-1,3-dioxolane
CID 134881489
[(2R,3S,4S,5R,6R)-2-(benzenesulfonyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-ethenyl-dimethylsilane
CID 134882903
[(1S,6S,7S)-8-(benzenesulfonyl)-6,7-dimethoxy-1-(2-methoxyethoxymethoxy)octyl]benzene
CID 134886622
O-[(4S,5S)-3-(benzenesulfonyl)-1-[(3S,4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]-4-methyl-5-(phenylmethoxymethoxy)hexan-2-yl] methylsulfanylmethanethioate
CID 134886657
O-[(4S,5R)-2-(benzenesulfonyl)-1-[(3S,4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]-4-methyl-5-(phenylmethoxymethoxy)hexan-3-yl] methylsulfanylmethanethioate
CID 134886783
[(3R,4S,5S,6R)-2-(benzenesulfinyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 134901171
[(3R,4S,5S,6R)-2-(benzenesulfinyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-[(2R,3R,4S,5R,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 134901172

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane?
The IUPAC name of [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane (CID 10099298) is [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane.
What is the SMILES notation for [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane?
The canonical SMILES for [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane is COCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(S(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane?
The InChIKey is CRNAVWZMLUMSGF-WGRRYGRBSA-N. The full InChI is InChI=1S/C33H38O4SSi/c1-35-26-36-31(32(39(2,3)4)38(34)30-23-15-8-16-24-30)25-37-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?,38?/m0/s1.
What are the key properties of [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane?
[(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane has a molecular weight of 558.82 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(benzenesulfinyl)-2-(methoxymethoxy)-3-trityloxypropyl]-trimethylsilane is sourced from PubChem (CID 10099298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).