1,1,2,3,4,6-hexaiodohexane

C6H8I6 — CID 18619067

IUPAC1,1,2,3,4,6-hexaiodohexane
SMILESICCC(I)C(I)C(I)C(I)I
InChIInChI=1S/C6H8I6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-6H,1-2H2
InChIKeyCLXZZJGVUPFWOW-UHFFFAOYSA-N
MW841.55 g/mol
LogP5.42
Rot. Bonds5

About 1,1,2,3,4,6-hexaiodohexane

1,1,2,3,4,6-hexaiodohexane (PubChem CID 18619067) has the molecular formula C6H8I6 and a molecular weight of 841.55 g/mol. Its IUPAC name is 1,1,2,3,4,6-hexaiodohexane.

Molecular Properties

Compound Name1,1,2,3,4,6-hexaiodohexane
PubChem CID18619067
Molecular FormulaC6H8I6
Molecular Weight841.55 g/mol
Exact Mass841.49
IUPAC Name1,1,2,3,4,6-hexaiodohexane
SMILESICCC(I)C(I)C(I)C(I)I
InChIInChI=1S/C6H8I6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-6H,1-2H2
InChIKeyCLXZZJGVUPFWOW-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,3,4,6-hexaiodohexane?
The IUPAC name of 1,1,2,3,4,6-hexaiodohexane (CID 18619067) is 1,1,2,3,4,6-hexaiodohexane.
What is the SMILES notation for 1,1,2,3,4,6-hexaiodohexane?
The canonical SMILES for 1,1,2,3,4,6-hexaiodohexane is ICCC(I)C(I)C(I)C(I)I.
What is the InChIKey of 1,1,2,3,4,6-hexaiodohexane?
The InChIKey is CLXZZJGVUPFWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8I6/c7-2-1-3(8)4(9)5(10)6(11)12/h3-6H,1-2H2.
What are the key properties of 1,1,2,3,4,6-hexaiodohexane?
1,1,2,3,4,6-hexaiodohexane has a molecular weight of 841.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,6-hexaiodohexane is sourced from PubChem (CID 18619067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).