[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane

C23H28SSi — CID 15632380

IUPAC[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane
SMILESC=CC(C)(C)/C(=C1\SC1(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H28SSi/c1-7-22(2,3)21(25(4,5)6)20-23(24-20,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3/b21-20+
InChIKeyGJNWPYQZJRMTSK-QZQOTICOSA-N
MW364.63 g/mol
LogP7.02
Rot. Bonds5

About [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane

[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane (PubChem CID 15632380) has the molecular formula C23H28SSi and a molecular weight of 364.63 g/mol. Its IUPAC name is [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane
PubChem CID15632380
Molecular FormulaC23H28SSi
Molecular Weight364.63 g/mol
Exact Mass364.17
IUPAC Name[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane
SMILESC=CC(C)(C)/C(=C1\SC1(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H28SSi/c1-7-22(2,3)21(25(4,5)6)20-23(24-20,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3/b21-20+
InChIKeyGJNWPYQZJRMTSK-QZQOTICOSA-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

4-(Trimethylsilyl)biphenyl
CID 298146
2-(Trimethylsilyl)biphenyl
CID 2760825
Cumyl dithiobenzoate
CID 11065602
Silane, [1,1'-biphenyl]-3-yltrimethyl-
CID 298148
Benzhydryl(trimethyl)silane
CID 239056
4,4'-Bis(trimethylsilyl)biphenyl
CID 624956
Silane, (2,2-diphenylethenyl)trimethyl-
CID 11831926
2,2'-bis(trimethylsilyl)-1,1'-Biphenyl
CID 13789366
(2,2-Diphenylethyl)triethylsilane
CID 15439187
[([1,1'-Biphenyl]-4-yl)methyl](trimethyl)silane
CID 15653987
Trimethyl-[(2-phenylphenyl)methyl]silane
CID 85643641
N'-[(E)-1-(3,4-Dimethoxyphenyl)ethylidene]-4-methoxybenzohydrazide
CID 6431605

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane?
The IUPAC name of [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane (CID 15632380) is [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane.
What is the SMILES notation for [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane?
The canonical SMILES for [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane is C=CC(C)(C)/C(=C1\SC1(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane?
The InChIKey is GJNWPYQZJRMTSK-QZQOTICOSA-N. The full InChI is InChI=1S/C23H28SSi/c1-7-22(2,3)21(25(4,5)6)20-23(24-20,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h7-17H,1H2,2-6H3/b21-20+.
What are the key properties of [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane?
[(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-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 [(1E)-1-(3,3-diphenylthiiran-2-ylidene)-2,2-dimethylbut-3-enyl]-trimethylsilane is sourced from PubChem (CID 15632380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).