2-ethyl-5-iodo-1,4-dioxane

C6H11IO2 — CID 89143595

IUPAC2-ethyl-5-iodo-1,4-dioxane
SMILESCCC1COC(I)CO1
InChIInChI=1S/C6H11IO2/c1-2-5-3-9-6(7)4-8-5/h5-6H,2-4H2,1H3
InChIKeyFCFFYYOQNILSON-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.57
Rot. Bonds1

About 2-ethyl-5-iodo-1,4-dioxane

2-ethyl-5-iodo-1,4-dioxane (PubChem CID 89143595) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-ethyl-5-iodo-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-5-iodo-1,4-dioxane
PubChem CID89143595
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name2-ethyl-5-iodo-1,4-dioxane
SMILESCCC1COC(I)CO1
InChIInChI=1S/C6H11IO2/c1-2-5-3-9-6(7)4-8-5/h5-6H,2-4H2,1H3
InChIKeyFCFFYYOQNILSON-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.57
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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Related Compounds

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CID 161033234
(2R)-2-ethyl-5-methyloxane
CID 146845250
ethane;2-ethyl-1,4-dioxane
CID 170734415
6-ethyl-1,3,5-trioxepane
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iodo-1,4-dioxane?
The IUPAC name of 2-ethyl-5-iodo-1,4-dioxane (CID 89143595) is 2-ethyl-5-iodo-1,4-dioxane.
What is the SMILES notation for 2-ethyl-5-iodo-1,4-dioxane?
The canonical SMILES for 2-ethyl-5-iodo-1,4-dioxane is CCC1COC(I)CO1.
What is the InChIKey of 2-ethyl-5-iodo-1,4-dioxane?
The InChIKey is FCFFYYOQNILSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-2-5-3-9-6(7)4-8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-ethyl-5-iodo-1,4-dioxane?
2-ethyl-5-iodo-1,4-dioxane has a molecular weight of 242.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-1,4-dioxane is sourced from PubChem (CID 89143595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).