[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane

C35H40O3SSi — CID 10483106

IUPAC[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane
SMILESCC1(C)O[C@@H]([C@@H](Sc2ccccc2)[Si](C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C35H40O3SSi/c1-34(2)37-31(32(38-34)33(40(3,4)5)39-30-24-16-9-17-25-30)26-36-35(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+/m1/s1
InChIKeyXRBFFJAFVBWTOC-SLGZMBILSA-N
MW568.86 g/mol
LogP8.55
Rot. Bonds10

About [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane

[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane (PubChem CID 10483106) has the molecular formula C35H40O3SSi and a molecular weight of 568.86 g/mol. Its IUPAC name is [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane
PubChem CID10483106
Molecular FormulaC35H40O3SSi
Molecular Weight568.86 g/mol
Exact Mass568.25
IUPAC Name[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane
SMILESCC1(C)O[C@@H]([C@@H](Sc2ccccc2)[Si](C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C35H40O3SSi/c1-34(2)37-31(32(38-34)33(40(3,4)5)39-30-24-16-9-17-25-30)26-36-35(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+/m1/s1
InChIKeyXRBFFJAFVBWTOC-SLGZMBILSA-N
XLogP8.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.86
LogP ≤ 58.55
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

[(4R,5R)-5-[methoxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
CID 101011550
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 11813246
(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-5-(phenylsulfanylmethyl)-1,3-dioxolane
CID 15032888
[(4S,5S,7E)-4-[6-[bis(phenylmethoxy)methyl]cyclohexa-1,5-dien-1-yl]-2,6,6,8-tetramethyl-7-(phenylsulfanylmethylidene)-1,3-dioxa-2-boraspiro[4.5]dec-8-en-9-yl]oxy-tri(propan-2-yl)silane
CID 15381763
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
dimethyl-phenyl-[(3S,4S,5S)-5-phenyl-4-phenylsulfanyloxolan-3-yl]silane
CID 101700250
(3S,4S)-3,4-ditrityloxythiolane
CID 102135862
(3aS,4S,7aS)-2,2-dimethyl-6-methylsulfanyl-4-(trityloxymethyl)-4,7a-dihydro-3aH-thiopyrano[3,4-d][1,3]dioxole
CID 102408093
(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
[[(4R,5R)-5-(benzhydryloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanylmethyl] acetate
CID 134916302

Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane?
The IUPAC name of [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane (CID 10483106) is [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane.
What is the SMILES notation for [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane?
The canonical SMILES for [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane is CC1(C)O[C@@H]([C@@H](Sc2ccccc2)[Si](C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane?
The InChIKey is XRBFFJAFVBWTOC-SLGZMBILSA-N. The full InChI is InChI=1S/C35H40O3SSi/c1-34(2)37-31(32(38-34)33(40(3,4)5)39-30-24-16-9-17-25-30)26-36-35(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+/m1/s1.
What are the key properties of [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane?
[(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane has a molecular weight of 568.86 g/mol, XLogP of 8.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R,5R)-2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]-phenylsulfanylmethyl]-trimethylsilane is sourced from PubChem (CID 10483106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).