[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene

C18H20O2STe — CID 11373724

IUPAC[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
SMILESCCCC/C(=C/S(=O)(=O)c1ccccc1)[Te]c1ccccc1
InChIInChI=1S/C18H20O2STe/c1-2-3-12-18(22-17-13-8-5-9-14-17)15-21(19,20)16-10-6-4-7-11-16/h4-11,13-15H,2-3,12H2,1H3/b18-15-
InChIKeyYBEYLFGCVXWPBI-SDXDJHTJSA-N
MW428.02 g/mol
LogP3.52
Rot. Bonds7

About [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene

[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene (PubChem CID 11373724) has the molecular formula C18H20O2STe and a molecular weight of 428.02 g/mol. Its IUPAC name is [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
PubChem CID11373724
Molecular FormulaC18H20O2STe
Molecular Weight428.02 g/mol
Exact Mass430.02
IUPAC Name[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
SMILESCCCC/C(=C/S(=O)(=O)c1ccccc1)[Te]c1ccccc1
InChIInChI=1S/C18H20O2STe/c1-2-3-12-18(22-17-13-8-5-9-14-17)15-21(19,20)16-10-6-4-7-11-16/h4-11,13-15H,2-3,12H2,1H3/b18-15-
InChIKeyYBEYLFGCVXWPBI-SDXDJHTJSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.02
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 [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene?
The IUPAC name of [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene (CID 11373724) is [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene?
The canonical SMILES for [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene is CCCC/C(=C/S(=O)(=O)c1ccccc1)[Te]c1ccccc1.
What is the InChIKey of [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene?
The InChIKey is YBEYLFGCVXWPBI-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H20O2STe/c1-2-3-12-18(22-17-13-8-5-9-14-17)15-21(19,20)16-10-6-4-7-11-16/h4-11,13-15H,2-3,12H2,1H3/b18-15-.
What are the key properties of [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene?
[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene has a molecular weight of 428.02 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene is sourced from PubChem (CID 11373724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).