2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane

C20H22O4Te2 — CID 155538832

IUPAC2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
SMILESCC1(c2cccc([Te][Te]c3cccc(C4(C)OCCO4)c3)c2)OCCO1
InChIInChI=1S/C20H22O4Te2/c1-19(21-9-10-22-19)15-5-3-7-17(13-15)25-26-18-8-4-6-16(14-18)20(2)23-11-12-24-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXOYKAXFTKOPWLG-UHFFFAOYSA-N
MW581.59 g/mol
LogP1.40
Rot. Bonds5

About 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane

2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane (PubChem CID 155538832) has the molecular formula C20H22O4Te2 and a molecular weight of 581.59 g/mol. Its IUPAC name is 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
PubChem CID155538832
Molecular FormulaC20H22O4Te2
Molecular Weight581.59 g/mol
Exact Mass585.96
IUPAC Name2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
SMILESCC1(c2cccc([Te][Te]c3cccc(C4(C)OCCO4)c3)c2)OCCO1
InChIInChI=1S/C20H22O4Te2/c1-19(21-9-10-22-19)15-5-3-7-17(13-15)25-26-18-8-4-6-16(14-18)20(2)23-11-12-24-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXOYKAXFTKOPWLG-UHFFFAOYSA-N
XLogP1.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.59
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane (CID 155538832) is 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane is CC1(c2cccc([Te][Te]c3cccc(C4(C)OCCO4)c3)c2)OCCO1.
What is the InChIKey of 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane?
The InChIKey is XOYKAXFTKOPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4Te2/c1-19(21-9-10-22-19)15-5-3-7-17(13-15)25-26-18-8-4-6-16(14-18)20(2)23-11-12-24-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane?
2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane has a molecular weight of 581.59 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 155538832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).