4,4-diiodooxane

C5H8I2O — CID 138563806

IUPAC4,4-diiodooxane
SMILESIC1(I)CCOCC1
InChIInChI=1S/C5H8I2O/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyMUAWLCMXMFBCHJ-UHFFFAOYSA-N
MW337.93 g/mol
LogP2.36
Rot. Bonds

About 4,4-diiodooxane

4,4-diiodooxane (PubChem CID 138563806) has the molecular formula C5H8I2O and a molecular weight of 337.93 g/mol. Its IUPAC name is 4,4-diiodooxane.

Molecular Properties

Compound Name4,4-diiodooxane
PubChem CID138563806
Molecular FormulaC5H8I2O
Molecular Weight337.93 g/mol
Exact Mass337.87
IUPAC Name4,4-diiodooxane
SMILESIC1(I)CCOCC1
InChIInChI=1S/C5H8I2O/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyMUAWLCMXMFBCHJ-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.93
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-oxa-2,3-diazaspiro[4.5]decane
CID 105428381
6-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 121210554
7-oxaspiro[3.5]nonan-2-ylazanium
CID 172615454
7-oxaspiro[3.5]nonan-2-one
CID 67451909
2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
CID 177218275
4-(iodomethyl)oxan-4-ol
CID 66961892
2,9-dioxaspiro[4.6]undecane
CID 118210519
9-methyl-3-oxa-9-boraspiro[5.5]undecane
CID 89312709
potassium 6-oxa-2-azanidaspiro[3.4]octane
CID 171656637
ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
1,4-dioxane
CID 161483686
3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363

Frequently Asked Questions

What is the IUPAC name of 4,4-diiodooxane?
The IUPAC name of 4,4-diiodooxane (CID 138563806) is 4,4-diiodooxane.
What is the SMILES notation for 4,4-diiodooxane?
The canonical SMILES for 4,4-diiodooxane is IC1(I)CCOCC1.
What is the InChIKey of 4,4-diiodooxane?
The InChIKey is MUAWLCMXMFBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8I2O/c6-5(7)1-3-8-4-2-5/h1-4H2.
What are the key properties of 4,4-diiodooxane?
4,4-diiodooxane has a molecular weight of 337.93 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diiodooxane is sourced from PubChem (CID 138563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).