1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane

C21H28OSSi — CID 11057410

IUPAC1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSSi/c1-17(22-24(5,6)21(2,3)4)23-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,1H2,2-6H3
InChIKeyKXPVJYQVUIDWJI-UHFFFAOYSA-N
MW356.61 g/mol
LogP7.00
Rot. Bonds6

About 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane

1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane (PubChem CID 11057410) has the molecular formula C21H28OSSi and a molecular weight of 356.61 g/mol. Its IUPAC name is 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane
PubChem CID11057410
Molecular FormulaC21H28OSSi
Molecular Weight356.61 g/mol
Exact Mass356.16
IUPAC Name1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSSi/c1-17(22-24(5,6)21(2,3)4)23-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,1H2,2-6H3
InChIKeyKXPVJYQVUIDWJI-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.61
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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[(Methylsulfanyl)(phenyl)methyl]benzene
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S-[(1R,2R)-2-fluoro-1,2-diphenylethyl] ethanethioate
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(2-Decylsulfanyl-2-fluoro-1-phenylethenyl)benzene
CID 176422301
Tert-butyl-[2-(1-fluoro-2,2-diphenylethenyl)sulfanylethoxy]-dimethylsilane
CID 176422313
Sulfonium, (diphenylmethyl)dimethyl-
CID 5325325
Tert-butyl-(1-butyltellanyl-2,2-diphenylethenoxy)-dimethylsilane
CID 10458421
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane
CID 12641109
[3-Benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane
CID 15175399
[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane
CID 15632380
[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene
CID 102425199

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane (CID 11057410) is 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)SC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane?
The InChIKey is KXPVJYQVUIDWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSSi/c1-17(22-24(5,6)21(2,3)4)23-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,1H2,2-6H3.
What are the key properties of 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane?
1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane has a molecular weight of 356.61 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylsulfanylethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11057410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).