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

C8H14I4O — CID 87477876

IUPAC4-(4,4-diiodobutoxy)-1,1-diiodobutane
SMILESIC(I)CCCOCCCC(I)I
InChIInChI=1S/C8H14I4O/c9-7(10)3-1-5-13-6-2-4-8(11)12/h7-8H,1-6H2
InChIKeyRNBVOPXCOHVSKS-UHFFFAOYSA-N
MW633.81 g/mol
LogP4.96
Rot. Bonds8

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

4-(4,4-diiodobutoxy)-1,1-diiodobutane (PubChem CID 87477876) has the molecular formula C8H14I4O and a molecular weight of 633.81 g/mol. Its IUPAC name is 4-(4,4-diiodobutoxy)-1,1-diiodobutane.

Molecular Properties

Compound Name4-(4,4-diiodobutoxy)-1,1-diiodobutane
PubChem CID87477876
Molecular FormulaC8H14I4O
Molecular Weight633.81 g/mol
Exact Mass633.72
IUPAC Name4-(4,4-diiodobutoxy)-1,1-diiodobutane
SMILESIC(I)CCCOCCCC(I)I
InChIInChI=1S/C8H14I4O/c9-7(10)3-1-5-13-6-2-4-8(11)12/h7-8H,1-6H2
InChIKeyRNBVOPXCOHVSKS-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(4,4-diiodobutoxy)-1,1-diiodobutane?
The IUPAC name of 4-(4,4-diiodobutoxy)-1,1-diiodobutane (CID 87477876) is 4-(4,4-diiodobutoxy)-1,1-diiodobutane.
What is the SMILES notation for 4-(4,4-diiodobutoxy)-1,1-diiodobutane?
The canonical SMILES for 4-(4,4-diiodobutoxy)-1,1-diiodobutane is IC(I)CCCOCCCC(I)I.
What is the InChIKey of 4-(4,4-diiodobutoxy)-1,1-diiodobutane?
The InChIKey is RNBVOPXCOHVSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14I4O/c9-7(10)3-1-5-13-6-2-4-8(11)12/h7-8H,1-6H2.
What are the key properties of 4-(4,4-diiodobutoxy)-1,1-diiodobutane?
4-(4,4-diiodobutoxy)-1,1-diiodobutane has a molecular weight of 633.81 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diiodobutoxy)-1,1-diiodobutane is sourced from PubChem (CID 87477876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).