trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane

C18H22O2SSeSi — CID 13063156

IUPACtrimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane
SMILESCc1ccc(S(=O)(=O)/C=C(/[Se]c2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C18H22O2SSeSi/c1-15-10-12-16(13-11-15)21(19,20)14-18(23(2,3)4)22-17-8-6-5-7-9-17/h5-14H,1-4H3/b18-14-
InChIKeyPKUIQYHKBZRCEL-JXAWBTAJSA-N
MW409.49 g/mol
LogP3.52
Rot. Bonds5

About trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane

trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane (PubChem CID 13063156) has the molecular formula C18H22O2SSeSi and a molecular weight of 409.49 g/mol. Its IUPAC name is trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane
PubChem CID13063156
Molecular FormulaC18H22O2SSeSi
Molecular Weight409.49 g/mol
Exact Mass410.03
IUPAC Nametrimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane
SMILESCc1ccc(S(=O)(=O)/C=C(/[Se]c2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C18H22O2SSeSi/c1-15-10-12-16(13-11-15)21(19,20)14-18(23(2,3)4)22-17-8-6-5-7-9-17/h5-14H,1-4H3/b18-14-
InChIKeyPKUIQYHKBZRCEL-JXAWBTAJSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane?
The IUPAC name of trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane (CID 13063156) is trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane?
The canonical SMILES for trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane is Cc1ccc(S(=O)(=O)/C=C(/[Se]c2ccccc2)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane?
The InChIKey is PKUIQYHKBZRCEL-JXAWBTAJSA-N. The full InChI is InChI=1S/C18H22O2SSeSi/c1-15-10-12-16(13-11-15)21(19,20)14-18(23(2,3)4)22-17-8-6-5-7-9-17/h5-14H,1-4H3/b18-14-.
What are the key properties of trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane?
trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane has a molecular weight of 409.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane is sourced from PubChem (CID 13063156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).