2,3-dihexoxy-1,4-diiodobenzene

C18H28I2O2 — CID 24814249

IUPAC2,3-dihexoxy-1,4-diiodobenzene
SMILESCCCCCCOc1c(I)ccc(I)c1OCCCCCC
InChIInChI=1S/C18H28I2O2/c1-3-5-7-9-13-21-17-15(19)11-12-16(20)18(17)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyWFXPGVWWTWVEOH-UHFFFAOYSA-N
MW530.23 g/mol
LogP6.81
Rot. Bonds12

About 2,3-dihexoxy-1,4-diiodobenzene

2,3-dihexoxy-1,4-diiodobenzene (PubChem CID 24814249) has the molecular formula C18H28I2O2 and a molecular weight of 530.23 g/mol. Its IUPAC name is 2,3-dihexoxy-1,4-diiodobenzene.

Molecular Properties

Compound Name2,3-dihexoxy-1,4-diiodobenzene
PubChem CID24814249
Molecular FormulaC18H28I2O2
Molecular Weight530.23 g/mol
Exact Mass530.02
IUPAC Name2,3-dihexoxy-1,4-diiodobenzene
SMILESCCCCCCOc1c(I)ccc(I)c1OCCCCCC
InChIInChI=1S/C18H28I2O2/c1-3-5-7-9-13-21-17-15(19)11-12-16(20)18(17)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyWFXPGVWWTWVEOH-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.23
LogP ≤ 56.81
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 2,3-dihexoxy-1,4-diiodobenzene?
The IUPAC name of 2,3-dihexoxy-1,4-diiodobenzene (CID 24814249) is 2,3-dihexoxy-1,4-diiodobenzene.
What is the SMILES notation for 2,3-dihexoxy-1,4-diiodobenzene?
The canonical SMILES for 2,3-dihexoxy-1,4-diiodobenzene is CCCCCCOc1c(I)ccc(I)c1OCCCCCC.
What is the InChIKey of 2,3-dihexoxy-1,4-diiodobenzene?
The InChIKey is WFXPGVWWTWVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28I2O2/c1-3-5-7-9-13-21-17-15(19)11-12-16(20)18(17)22-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 2,3-dihexoxy-1,4-diiodobenzene?
2,3-dihexoxy-1,4-diiodobenzene has a molecular weight of 530.23 g/mol, XLogP of 6.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexoxy-1,4-diiodobenzene is sourced from PubChem (CID 24814249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).