trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane

C19H24OSSi — CID 12641117

IUPACtrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24OSSi/c1-5-16-19(20-22(2,3)4,17-12-8-6-9-13-17)21-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3
InChIKeyJMNCKRKJSBAJEP-UHFFFAOYSA-N
MW328.55 g/mol
LogP6.06
Rot. Bonds7

About trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane

trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane (PubChem CID 12641117) has the molecular formula C19H24OSSi and a molecular weight of 328.55 g/mol. Its IUPAC name is trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane.

Molecular Properties

Compound Nametrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
PubChem CID12641117
Molecular FormulaC19H24OSSi
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Nametrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24OSSi/c1-5-16-19(20-22(2,3)4,17-12-8-6-9-13-17)21-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3
InChIKeyJMNCKRKJSBAJEP-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883
[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
(Z)-1-(4-fluorophenyl)-2-[methyl(phenyl)sulfonio]ethenolate
CID 176428064
[(Z)-1,2-diphenylethenoxy]-trimethylsilane
CID 10934478
[(E)-1,2-diphenylethenoxy]-trimethylsilane
CID 11000074
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
1-(3-Fluoro-4-methylsulfanylphenyl)ethenoxy-trimethylsilane
CID 69669112
Tert-butyl-[[4-[ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]methoxy]-dimethylsilane
CID 174039863
Dimethylbis[(1-phenylethenyl)oxy]silane
CID 13683379
[(E)-1,3-diphenylprop-1-enoxy]-trimethylsilane
CID 13693452
[(Z)-1,2-diphenylprop-1-enoxy]-trimethylsilane
CID 14714461
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane?
The IUPAC name of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane (CID 12641117) is trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane.
What is the SMILES notation for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane?
The canonical SMILES for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane is C=CCC(O[Si](C)(C)C)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane?
The InChIKey is JMNCKRKJSBAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OSSi/c1-5-16-19(20-22(2,3)4,17-12-8-6-9-13-17)21-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3.
What are the key properties of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane?
trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane has a molecular weight of 328.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane is sourced from PubChem (CID 12641117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).