1,4-dibutoxy-2,5-diiodobenzene

C14H20I2O2 — CID 10863692

IUPAC1,4-dibutoxy-2,5-diiodobenzene
SMILESCCCCOc1cc(I)c(OCCCC)cc1I
InChIInChI=1S/C14H20I2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFHMRMGMYXRBOHP-UHFFFAOYSA-N
MW474.12 g/mol
LogP5.25
Rot. Bonds8

About 1,4-dibutoxy-2,5-diiodobenzene

1,4-dibutoxy-2,5-diiodobenzene (PubChem CID 10863692) has the molecular formula C14H20I2O2 and a molecular weight of 474.12 g/mol. Its IUPAC name is 1,4-dibutoxy-2,5-diiodobenzene.

Molecular Properties

Compound Name1,4-dibutoxy-2,5-diiodobenzene
PubChem CID10863692
Molecular FormulaC14H20I2O2
Molecular Weight474.12 g/mol
Exact Mass473.96
IUPAC Name1,4-dibutoxy-2,5-diiodobenzene
SMILESCCCCOc1cc(I)c(OCCCC)cc1I
InChIInChI=1S/C14H20I2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFHMRMGMYXRBOHP-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.12
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutoxy-2,5-diiodobenzene?
The IUPAC name of 1,4-dibutoxy-2,5-diiodobenzene (CID 10863692) is 1,4-dibutoxy-2,5-diiodobenzene.
What is the SMILES notation for 1,4-dibutoxy-2,5-diiodobenzene?
The canonical SMILES for 1,4-dibutoxy-2,5-diiodobenzene is CCCCOc1cc(I)c(OCCCC)cc1I.
What is the InChIKey of 1,4-dibutoxy-2,5-diiodobenzene?
The InChIKey is FHMRMGMYXRBOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20I2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,4-dibutoxy-2,5-diiodobenzene?
1,4-dibutoxy-2,5-diiodobenzene has a molecular weight of 474.12 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutoxy-2,5-diiodobenzene is sourced from PubChem (CID 10863692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).