[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane

C23H28SSi — CID 15175399

IUPAC[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane
SMILESC=CC(C)(C)C1([Si](C)(C)C)SC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28SSi/c1-7-22(2,3)23(25(4,5)6)21(24-23)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3
InChIKeyIYDYJYOMQSJQQB-UHFFFAOYSA-N
MW364.63 g/mol
LogP7.02
Rot. Bonds5

About [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane

[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane (PubChem CID 15175399) has the molecular formula C23H28SSi and a molecular weight of 364.63 g/mol. Its IUPAC name is [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane
PubChem CID15175399
Molecular FormulaC23H28SSi
Molecular Weight364.63 g/mol
Exact Mass364.17
IUPAC Name[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane
SMILESC=CC(C)(C)C1([Si](C)(C)C)SC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28SSi/c1-7-22(2,3)23(25(4,5)6)21(24-23)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3
InChIKeyIYDYJYOMQSJQQB-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Benzhydryl(trimethyl)silane
CID 239056
Silane, (2,2-diphenylethenyl)trimethyl-
CID 11831926
Silane, (3,3-diphenyl-1,2-propadienylidene)bis[trimethyl-
CID 553602
[(3,3-Dimethylcyclopenten-1-yl)-phenylmethyl]-dimethyl-phenylsilane
CID 10018944
Dimethyl(phenyl)((e)-1-phenylbut-2-enyl)silane
CID 10754260
Silane, dimethylphenyl(3-phenylpropyl)-
CID 10956130
(2,2-Diphenylcyclopropyl)methyl-triethylsilane
CID 11209497
(1-Benzylsulfanyl-2-ethenyl-2,6-dimethylhept-5-enyl)-trimethylsilane
CID 11348572
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane
CID 12641109
Dimethyl-(1-phenylbut-3-enyl)-(1-phenylsulfanylcyclopropyl)silane
CID 15262975
[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane
CID 15632380
dimethyl-phenyl-[(E)-4-phenylbut-2-enyl]silane
CID 15646423

Frequently Asked Questions

What is the IUPAC name of [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane?
The IUPAC name of [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane (CID 15175399) is [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane.
What is the SMILES notation for [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane?
The canonical SMILES for [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane is C=CC(C)(C)C1([Si](C)(C)C)SC1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane?
The InChIKey is IYDYJYOMQSJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28SSi/c1-7-22(2,3)23(25(4,5)6)21(24-23)20(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3.
What are the key properties of [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane?
[3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane has a molecular weight of 364.63 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzhydrylidene-2-(2-methylbut-3-en-2-yl)thiiran-2-yl]-trimethylsilane is sourced from PubChem (CID 15175399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).