1-(2,4-diiodobutoxy)-2,4-diiodobutane

C8H14I4O — CID 87477878

IUPAC1-(2,4-diiodobutoxy)-2,4-diiodobutane
SMILESICCC(I)COCC(I)CCI
InChIInChI=1S/C8H14I4O/c9-3-1-7(11)5-13-6-8(12)2-4-10/h7-8H,1-6H2
InChIKeyXYHBLQJHDNPAIM-UHFFFAOYSA-N
MW633.81 g/mol
LogP4.26
Rot. Bonds8

About 1-(2,4-diiodobutoxy)-2,4-diiodobutane

1-(2,4-diiodobutoxy)-2,4-diiodobutane (PubChem CID 87477878) has the molecular formula C8H14I4O and a molecular weight of 633.81 g/mol. Its IUPAC name is 1-(2,4-diiodobutoxy)-2,4-diiodobutane.

Molecular Properties

Compound Name1-(2,4-diiodobutoxy)-2,4-diiodobutane
PubChem CID87477878
Molecular FormulaC8H14I4O
Molecular Weight633.81 g/mol
Exact Mass633.72
IUPAC Name1-(2,4-diiodobutoxy)-2,4-diiodobutane
SMILESICCC(I)COCC(I)CCI
InChIInChI=1S/C8H14I4O/c9-3-1-7(11)5-13-6-8(12)2-4-10/h7-8H,1-6H2
InChIKeyXYHBLQJHDNPAIM-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diiodobutoxy)-2,4-diiodobutane?
The IUPAC name of 1-(2,4-diiodobutoxy)-2,4-diiodobutane (CID 87477878) is 1-(2,4-diiodobutoxy)-2,4-diiodobutane.
What is the SMILES notation for 1-(2,4-diiodobutoxy)-2,4-diiodobutane?
The canonical SMILES for 1-(2,4-diiodobutoxy)-2,4-diiodobutane is ICCC(I)COCC(I)CCI.
What is the InChIKey of 1-(2,4-diiodobutoxy)-2,4-diiodobutane?
The InChIKey is XYHBLQJHDNPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14I4O/c9-3-1-7(11)5-13-6-8(12)2-4-10/h7-8H,1-6H2.
What are the key properties of 1-(2,4-diiodobutoxy)-2,4-diiodobutane?
1-(2,4-diiodobutoxy)-2,4-diiodobutane has a molecular weight of 633.81 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diiodobutoxy)-2,4-diiodobutane is sourced from PubChem (CID 87477878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).