[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite

C10H18I2O5 — CID 129254497

IUPAC[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite
SMILESCC(C)(C)C1OC(CO)C(OI)C(O)C1OI
InChIInChI=1S/C10H18I2O5/c1-10(2,3)9-8(17-12)6(14)7(16-11)5(4-13)15-9/h5-9,13-14H,4H2,1-3H3
InChIKeyGRRIGFZHYDFXFM-UHFFFAOYSA-N
MW472.06 g/mol
LogP1.62
Rot. Bonds3

About [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite

[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite (PubChem CID 129254497) has the molecular formula C10H18I2O5 and a molecular weight of 472.06 g/mol. Its IUPAC name is [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite.

Molecular Properties

Compound Name[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite
PubChem CID129254497
Molecular FormulaC10H18I2O5
Molecular Weight472.06 g/mol
Exact Mass471.92
IUPAC Name[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite
SMILESCC(C)(C)C1OC(CO)C(OI)C(O)C1OI
InChIInChI=1S/C10H18I2O5/c1-10(2,3)9-8(17-12)6(14)7(16-11)5(4-13)15-9/h5-9,13-14H,4H2,1-3H3
InChIKeyGRRIGFZHYDFXFM-UHFFFAOYSA-N
XLogP1.62
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.06
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 123355857
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170688493
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
CID 156616402
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
CID 153348400
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite?
The IUPAC name of [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite (CID 129254497) is [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite.
What is the SMILES notation for [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite?
The canonical SMILES for [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite is CC(C)(C)C1OC(CO)C(OI)C(O)C1OI.
What is the InChIKey of [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite?
The InChIKey is GRRIGFZHYDFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18I2O5/c1-10(2,3)9-8(17-12)6(14)7(16-11)5(4-13)15-9/h5-9,13-14H,4H2,1-3H3.
What are the key properties of [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite?
[2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite has a molecular weight of 472.06 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4-hydroxy-6-(hydroxymethyl)-5-iodooxyoxan-3-yl] hypoiodite is sourced from PubChem (CID 129254497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).