[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane

C37H38O3SSi — CID 10841153

IUPAC[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane
SMILESCC(C)(C)C[C@@H]([C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C37H38O3SSi/c1-37(2,3)29-35(41(38,39)31-21-11-5-12-22-31)36(30-19-9-4-10-20-30)40-42(32-23-13-6-14-24-32,33-25-15-7-16-26-33)34-27-17-8-18-28-34/h4-28,35-36H,29H2,1-3H3/t35-,36-/m0/s1
InChIKeyOFGSQLVURPTONS-ZPGRZCPFSA-N
MW590.86 g/mol
LogP6.69
Rot. Bonds10

About [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane

[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane (PubChem CID 10841153) has the molecular formula C37H38O3SSi and a molecular weight of 590.86 g/mol. Its IUPAC name is [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane.

Molecular Properties

Compound Name[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane
PubChem CID10841153
Molecular FormulaC37H38O3SSi
Molecular Weight590.86 g/mol
Exact Mass590.23
IUPAC Name[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane
SMILESCC(C)(C)C[C@@H]([C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C37H38O3SSi/c1-37(2,3)29-35(41(38,39)31-21-11-5-12-22-31)36(30-19-9-4-10-20-30)40-42(32-23-13-6-14-24-32,33-25-15-7-16-26-33)34-27-17-8-18-28-34/h4-28,35-36H,29H2,1-3H3/t35-,36-/m0/s1
InChIKeyOFGSQLVURPTONS-ZPGRZCPFSA-N
XLogP6.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.86
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1R,2R)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentan-1-ol
CID 101087934
2,2,6,6-tetramethylheptan-4-ylsulfonylbenzene
CID 102144824
[1-(benzenesulfonyl)-3,3-dimethylbutyl]-trimethylgermane
CID 175532591
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756
(1-butylsulfonyl-3,3-dimethylbutyl)sulfonylbenzene
CID 2830964
2-(benzenesulfonyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106512287
methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480
[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
CID 149433737
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
benzenesulfonyl(phenyl)methanol
CID 174895803
3-(benzenesulfonyl)heptan-4-ol
CID 62918058

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane?
The IUPAC name of [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane (CID 10841153) is [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane.
What is the SMILES notation for [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane?
The canonical SMILES for [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane is CC(C)(C)C[C@@H]([C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane?
The InChIKey is OFGSQLVURPTONS-ZPGRZCPFSA-N. The full InChI is InChI=1S/C37H38O3SSi/c1-37(2,3)29-35(41(38,39)31-21-11-5-12-22-31)36(30-19-9-4-10-20-30)40-42(32-23-13-6-14-24-32,33-25-15-7-16-26-33)34-27-17-8-18-28-34/h4-28,35-36H,29H2,1-3H3/t35-,36-/m0/s1.
What are the key properties of [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane?
[(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane has a molecular weight of 590.86 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(benzenesulfonyl)-4,4-dimethyl-1-phenylpentoxy]-triphenylsilane is sourced from PubChem (CID 10841153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).