triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane

C18H32O5SSi2 — CID 138971609

IUPACtriethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane
SMILESCCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H32O5SSi2/c1-8-21-26(22-9-2,23-10-3)18(15-25(5,6)7)24(19,20)17-13-11-16(4)12-14-17/h11-15H,8-10H2,1-7H3/b18-15+
InChIKeyDWHWAOOZUDEDDX-OBGWFSINSA-N
MW416.69 g/mol
LogP4.12
Rot. Bonds10

About triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane

triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane (PubChem CID 138971609) has the molecular formula C18H32O5SSi2 and a molecular weight of 416.69 g/mol. Its IUPAC name is triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane.

Molecular Properties

Compound Nametriethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane
PubChem CID138971609
Molecular FormulaC18H32O5SSi2
Molecular Weight416.69 g/mol
Exact Mass416.15
IUPAC Nametriethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane
SMILESCCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H32O5SSi2/c1-8-21-26(22-9-2,23-10-3)18(15-25(5,6)7)24(19,20)17-13-11-16(4)12-14-17/h11-15H,8-10H2,1-7H3/b18-15+
InChIKeyDWHWAOOZUDEDDX-OBGWFSINSA-N
XLogP4.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 54.12
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

p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
2-(4-CHLOROSULFONYLPHENYL)ETHYLTRIMETHOXYSILANE, 50% in methylene chloride
CID 2733807
[(E)-3-trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate
CID 357836
tert-Butyldimethylsilyl 4-methylbenzenesulfonate
CID 21784211
[(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentyl] 4-methylbenzenesulfonate
CID 10962352
trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
CID 11076455
tert-butyl-[4-(3,4-dihydro-2H-pyran-6-yl)-4-(4-methylphenyl)sulfonylbutoxy]-dimethylsilane
CID 11418855
tributyl-[(E)-1-(4-methylphenyl)sulfonylhex-1-enyl]stannane
CID 135076247
(2S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylpropan-1-yl Tosylate
CID 11371791
3-(Trimethylsilyl)prop-2-yn-1-yl 4-methylbenzene-1-sulfonate
CID 11748020
4-(Trimethylsilyl)but-3-ynyl 4-methylbenzenesulfonate
CID 13197283
4-[Tert-butyl(dimethyl)silyl]oxybutan-2-yl 4-methylbenzenesulfonate
CID 15760345

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane?
The IUPAC name of triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane (CID 138971609) is triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane.
What is the SMILES notation for triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane?
The canonical SMILES for triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane is CCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane?
The InChIKey is DWHWAOOZUDEDDX-OBGWFSINSA-N. The full InChI is InChI=1S/C18H32O5SSi2/c1-8-21-26(22-9-2,23-10-3)18(15-25(5,6)7)24(19,20)17-13-11-16(4)12-14-17/h11-15H,8-10H2,1-7H3/b18-15+.
What are the key properties of triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane?
triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane has a molecular weight of 416.69 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(Z)-1-(4-methylphenyl)sulfonyl-2-trimethylsilylethenyl]silane is sourced from PubChem (CID 138971609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).