[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane

C35H40O4SSi — CID 10483435

IUPAC[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane
SMILESCC1(C)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C(S(=O)c2ccccc2)[Si](C)(C)C)O1
InChIInChI=1S/C35H40O4SSi/c1-34(2)38-31(32(39-34)33(41(3,4)5)40(36)30-24-16-9-17-25-30)26-37-35(27-18-10-6-11-19-27,28-20-12-7-13-21-28)29-22-14-8-15-23-29/h6-25,31-33H,26H2,1-5H3/t31-,32-,33?,40?/m0/s1
InChIKeyACKYZOSUTKLLBM-MYMIVNQDSA-N
MW584.85 g/mol
LogP7.57
Rot. Bonds10

About [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane

[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane (PubChem CID 10483435) has the molecular formula C35H40O4SSi and a molecular weight of 584.85 g/mol. Its IUPAC name is [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane.

Molecular Properties

Compound Name[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane
PubChem CID10483435
Molecular FormulaC35H40O4SSi
Molecular Weight584.85 g/mol
Exact Mass584.24
IUPAC Name[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane
SMILESCC1(C)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C(S(=O)c2ccccc2)[Si](C)(C)C)O1
InChIInChI=1S/C35H40O4SSi/c1-34(2)38-31(32(39-34)33(41(3,4)5)40(36)30-24-16-9-17-25-30)26-37-35(27-18-10-6-11-19-27,28-20-12-7-13-21-28)29-22-14-8-15-23-29/h6-25,31-33H,26H2,1-5H3/t31-,32-,33?,40?/m0/s1
InChIKeyACKYZOSUTKLLBM-MYMIVNQDSA-N
XLogP7.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.85
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
(2S,3R,4S)-2-[1,2-bis(phenylmethoxy)ethyl]-4-(4-methylphenyl)sulfonyl-3-phenylmethoxythiolane 1,1-dioxide
CID 45139554
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
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844652
2-[(2R,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844712
(4R,5R)-4-(benzenesulfinylmethyl)-5-(benzhydryloxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 134872952
(4R,5R)-4-(benzhydryloxymethyl)-2,2-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxolane
CID 134872982
(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
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

Frequently Asked Questions

What is the IUPAC name of [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane?
The IUPAC name of [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane (CID 10483435) is [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane.
What is the SMILES notation for [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane?
The canonical SMILES for [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane is CC1(C)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C(S(=O)c2ccccc2)[Si](C)(C)C)O1.
What is the InChIKey of [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane?
The InChIKey is ACKYZOSUTKLLBM-MYMIVNQDSA-N. The full InChI is InChI=1S/C35H40O4SSi/c1-34(2)38-31(32(39-34)33(41(3,4)5)40(36)30-24-16-9-17-25-30)26-37-35(27-18-10-6-11-19-27,28-20-12-7-13-21-28)29-22-14-8-15-23-29/h6-25,31-33H,26H2,1-5H3/t31-,32-,33?,40?/m0/s1.
What are the key properties of [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane?
[benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane has a molecular weight of 584.85 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfinyl-[(4S,5S)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]methyl]-trimethylsilane is sourced from PubChem (CID 10483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).