[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane

C19H32O3SSi — CID 15935843

IUPAC[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32O3SSi/c1-15(2)24(16(3)4,17(5)6)22-18(7)13-14-23(20,21)19-11-9-8-10-12-19/h8-18H,1-7H3/b14-13+
InChIKeyWJXNZKULRGQNNH-BUHFOSPRSA-N
MW368.62 g/mol
LogP5.55
Rot. Bonds8

About [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane

[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15935843) has the molecular formula C19H32O3SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID15935843
Molecular FormulaC19H32O3SSi
Molecular Weight368.62 g/mol
Exact Mass368.18
IUPAC Name[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H32O3SSi/c1-15(2)24(16(3)4,17(5)6)22-18(7)13-14-23(20,21)19-11-9-8-10-12-19/h8-18H,1-7H3/b14-13+
InChIKeyWJXNZKULRGQNNH-BUHFOSPRSA-N
XLogP5.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 55.55
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

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
AG-G-90643
CID 2724975
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
[2-(Benzenesulfonyl)ethenyl](trimethyl)silane
CID 14384747
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane (CID 15935843) is [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane is CC(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is WJXNZKULRGQNNH-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H32O3SSi/c1-15(2)24(16(3)4,17(5)6)22-18(7)13-14-23(20,21)19-11-9-8-10-12-19/h8-18H,1-7H3/b14-13+.
What are the key properties of [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane?
[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 368.62 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15935843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).