2-iodo-4,6-dimethyl-1,3-dioxane

C6H11IO2 — CID 129213139

IUPAC2-iodo-4,6-dimethyl-1,3-dioxane
SMILESCC1CC(C)OC(I)O1
InChIInChI=1S/C6H11IO2/c1-4-3-5(2)9-6(7)8-4/h4-6H,3H2,1-2H3
InChIKeyIWVGAYRPSAVXMB-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.92
Rot. Bonds

About 2-iodo-4,6-dimethyl-1,3-dioxane

2-iodo-4,6-dimethyl-1,3-dioxane (PubChem CID 129213139) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-iodo-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-iodo-4,6-dimethyl-1,3-dioxane
PubChem CID129213139
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name2-iodo-4,6-dimethyl-1,3-dioxane
SMILESCC1CC(C)OC(I)O1
InChIInChI=1S/C6H11IO2/c1-4-3-5(2)9-6(7)8-4/h4-6H,3H2,1-2H3
InChIKeyIWVGAYRPSAVXMB-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-iodo-4,6-dimethyl-1,3-dioxane?
The IUPAC name of 2-iodo-4,6-dimethyl-1,3-dioxane (CID 129213139) is 2-iodo-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-iodo-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for 2-iodo-4,6-dimethyl-1,3-dioxane is CC1CC(C)OC(I)O1.
What is the InChIKey of 2-iodo-4,6-dimethyl-1,3-dioxane?
The InChIKey is IWVGAYRPSAVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-4-3-5(2)9-6(7)8-4/h4-6H,3H2,1-2H3.
What are the key properties of 2-iodo-4,6-dimethyl-1,3-dioxane?
2-iodo-4,6-dimethyl-1,3-dioxane has a molecular weight of 242.06 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 129213139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).