tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide

C32H72Cu4I4Se4 — CID 139172884

IUPACtetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide
SMILESCC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.[Cu+].[Cu+].[Cu+].[Cu+].[I-].[I-].[I-].[I-]
InChIInChI=1S/4C8H18Se.4Cu.4HI/c4*1-7(2,3)9-8(4,5)6;;;;;;;;/h4*1-6H3;;;;;4*1H/q;;;;4*+1;;;;/p-4
InChIKeyPDJKHINGYQTUEE-UHFFFAOYSA-J
MW1534.57 g/mol
LogP0.52
Rot. Bonds

About tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide

tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide (PubChem CID 139172884) has the molecular formula C32H72Cu4I4Se4 and a molecular weight of 1534.57 g/mol. Its IUPAC name is tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide.

Molecular Properties

Compound Nametetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide
PubChem CID139172884
Molecular FormulaC32H72Cu4I4Se4
Molecular Weight1534.57 g/mol
Exact Mass1535.57
IUPAC Nametetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide
SMILESCC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.[Cu+].[Cu+].[Cu+].[Cu+].[I-].[I-].[I-].[I-]
InChIInChI=1S/4C8H18Se.4Cu.4HI/c4*1-7(2,3)9-8(4,5)6;;;;;;;;/h4*1-6H3;;;;;4*1H/q;;;;4*+1;;;;/p-4
InChIKeyPDJKHINGYQTUEE-UHFFFAOYSA-J
XLogP0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001534.57
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide?
The IUPAC name of tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide (CID 139172884) is tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide.
What is the SMILES notation for tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide?
The canonical SMILES for tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide is CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.CC(C)(C)[Se]C(C)(C)C.[Cu+].[Cu+].[Cu+].[Cu+].[I-].[I-].[I-].[I-].
What is the InChIKey of tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide?
The InChIKey is PDJKHINGYQTUEE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H18Se.4Cu.4HI/c4*1-7(2,3)9-8(4,5)6;;;;;;;;/h4*1-6H3;;;;;4*1H/q;;;;4*+1;;;;/p-4.
What are the key properties of tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide?
tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide has a molecular weight of 1534.57 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-tert-butylselanyl-2-methylpropane);tetrakis(copper(1+));tetraiodide is sourced from PubChem (CID 139172884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).