tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane

C29H51NO4SSi2 — CID 53261300

IUPACtert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane
SMILESCCCCc1cc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H51NO4SSi2/c1-13-14-15-25-20-24(21-33-36(9,10)28(3,4)5)27(22-34-37(11,12)29(6,7)8)30(25)35(31,32)26-18-16-23(2)17-19-26/h16-20H,13-15,21-22H2,1-12H3
InChIKeyIZDVRKLLDQUVCT-UHFFFAOYSA-N
MW565.97 g/mol
LogP8.42
Rot. Bonds11

About tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane

tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane (PubChem CID 53261300) has the molecular formula C29H51NO4SSi2 and a molecular weight of 565.97 g/mol. Its IUPAC name is tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane
PubChem CID53261300
Molecular FormulaC29H51NO4SSi2
Molecular Weight565.97 g/mol
Exact Mass565.31
IUPAC Nametert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane
SMILESCCCCc1cc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H51NO4SSi2/c1-13-14-15-25-20-24(21-33-36(9,10)28(3,4)5)27(22-34-37(11,12)29(6,7)8)30(25)35(31,32)26-18-16-23(2)17-19-26/h16-20H,13-15,21-22H2,1-12H3
InChIKeyIZDVRKLLDQUVCT-UHFFFAOYSA-N
XLogP8.42
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.97
LogP ≤ 58.42
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

tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661
N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 138983524
tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
CID 11269094
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
1-[2-butyl-5-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-2-phenylbenzimidazole
CID 71483269
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 59051238
1-N-benzyl-2-N-[2-butyl-5-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]benzene-1,2-diamine
CID 71483268
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane (CID 53261300) is tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane is CCCCc1cc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane?
The InChIKey is IZDVRKLLDQUVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO4SSi2/c1-13-14-15-25-20-24(21-33-36(9,10)28(3,4)5)27(22-34-37(11,12)29(6,7)8)30(25)35(31,32)26-18-16-23(2)17-19-26/h16-20H,13-15,21-22H2,1-12H3.
What are the key properties of tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane has a molecular weight of 565.97 g/mol, XLogP of 8.42, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 53261300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).