(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal

C18H14O2Te2 — CID 171377940

IUPAC(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal
SMILESO=C/C=C\c1ccccc1[Te][Te]c1ccccc1/C=C/C=O
InChIInChI=1S/C18H14O2Te2/c19-13-5-9-15-7-1-3-11-17(15)21-22-18-12-4-2-8-16(18)10-6-14-20/h1-14H/b9-5-,10-6+
InChIKeyGPJLKAYUSGASCZ-VTBWALSUSA-N
MW517.51 g/mol
LogP1.38
Rot. Bonds7

About (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal

(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal (PubChem CID 171377940) has the molecular formula C18H14O2Te2 and a molecular weight of 517.51 g/mol. Its IUPAC name is (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal
PubChem CID171377940
Molecular FormulaC18H14O2Te2
Molecular Weight517.51 g/mol
Exact Mass521.91
IUPAC Name(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal
SMILESO=C/C=C\c1ccccc1[Te][Te]c1ccccc1/C=C/C=O
InChIInChI=1S/C18H14O2Te2/c19-13-5-9-15-7-1-3-11-17(15)21-22-18-12-4-2-8-16(18)10-6-14-20/h1-14H/b9-5-,10-6+
InChIKeyGPJLKAYUSGASCZ-VTBWALSUSA-N
XLogP1.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal?
The IUPAC name of (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal (CID 171377940) is (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal.
What is the SMILES notation for (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal?
The canonical SMILES for (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal is O=C/C=C\c1ccccc1[Te][Te]c1ccccc1/C=C/C=O.
What is the InChIKey of (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal?
The InChIKey is GPJLKAYUSGASCZ-VTBWALSUSA-N. The full InChI is InChI=1S/C18H14O2Te2/c19-13-5-9-15-7-1-3-11-17(15)21-22-18-12-4-2-8-16(18)10-6-14-20/h1-14H/b9-5-,10-6+.
What are the key properties of (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal?
(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal has a molecular weight of 517.51 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal is sourced from PubChem (CID 171377940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).