[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane

C22H30O3SSi — CID 15534325

IUPAC[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3SSi/c1-22(2,3)27(4,5)25-21(19-13-8-6-9-14-19)17-12-18-26(23,24)20-15-10-7-11-16-20/h6-16,18,21H,17H2,1-5H3/b18-12+
InChIKeyLLENEVNBXCMURR-LDADJPATSA-N
MW402.63 g/mol
LogP6.13
Rot. Bonds7

About [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane

[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 15534325) has the molecular formula C22H30O3SSi and a molecular weight of 402.63 g/mol. Its IUPAC name is [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID15534325
Molecular FormulaC22H30O3SSi
Molecular Weight402.63 g/mol
Exact Mass402.17
IUPAC Name[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3SSi/c1-22(2,3)27(4,5)25-21(19-13-8-6-9-14-19)17-12-18-26(23,24)20-15-10-7-11-16-20/h6-16,18,21H,17H2,1-5H3/b18-12+
InChIKeyLLENEVNBXCMURR-LDADJPATSA-N
XLogP6.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
tert-butyl N-[(E)-5-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10674323
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane (CID 15534325) is [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is LLENEVNBXCMURR-LDADJPATSA-N. The full InChI is InChI=1S/C22H30O3SSi/c1-22(2,3)27(4,5)25-21(19-13-8-6-9-14-19)17-12-18-26(23,24)20-15-10-7-11-16-20/h6-16,18,21H,17H2,1-5H3/b18-12+.
What are the key properties of [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane?
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 402.63 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 15534325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).