(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene

C8H12I2Te — CID 10624897

IUPAC(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene
SMILESCCCC[Te]/C=C\C(I)=C/I
InChIInChI=1S/C8H12I2Te/c1-2-3-5-11-6-4-8(10)7-9/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7+
InChIKeyFXAFMOFJDQQRHX-IQTBQJLQSA-N
MW489.59 g/mol
LogP4.13
Rot. Bonds5

About (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene

(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene (PubChem CID 10624897) has the molecular formula C8H12I2Te and a molecular weight of 489.59 g/mol. Its IUPAC name is (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene
PubChem CID10624897
Molecular FormulaC8H12I2Te
Molecular Weight489.59 g/mol
Exact Mass491.81
IUPAC Name(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene
SMILESCCCC[Te]/C=C\C(I)=C/I
InChIInChI=1S/C8H12I2Te/c1-2-3-5-11-6-4-8(10)7-9/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7+
InChIKeyFXAFMOFJDQQRHX-IQTBQJLQSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene?
The IUPAC name of (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene (CID 10624897) is (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene.
What is the SMILES notation for (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene?
The canonical SMILES for (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene is CCCC[Te]/C=C\C(I)=C/I.
What is the InChIKey of (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene?
The InChIKey is FXAFMOFJDQQRHX-IQTBQJLQSA-N. The full InChI is InChI=1S/C8H12I2Te/c1-2-3-5-11-6-4-8(10)7-9/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7+.
What are the key properties of (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene?
(1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene has a molecular weight of 489.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-butyltellanyl-1,2-diiodobuta-1,3-diene is sourced from PubChem (CID 10624897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).