[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite

C7H14I2O3 — CID 87964568

IUPAC[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
SMILESCC(C)(C)OC(COI)COI
InChIInChI=1S/C7H14I2O3/c1-7(2,3)12-6(4-10-8)5-11-9/h6H,4-5H2,1-3H3
InChIKeyAIHPZJBIEXTMQC-UHFFFAOYSA-N
MW399.99 g/mol
LogP2.90
Rot. Bonds5

About [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite

[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite (PubChem CID 87964568) has the molecular formula C7H14I2O3 and a molecular weight of 399.99 g/mol. Its IUPAC name is [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite.

Molecular Properties

Compound Name[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
PubChem CID87964568
Molecular FormulaC7H14I2O3
Molecular Weight399.99 g/mol
Exact Mass399.90
IUPAC Name[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
SMILESCC(C)(C)OC(COI)COI
InChIInChI=1S/C7H14I2O3/c1-7(2,3)12-6(4-10-8)5-11-9/h6H,4-5H2,1-3H3
InChIKeyAIHPZJBIEXTMQC-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((1,1-Dimethylethoxy)methyl)oxirane
CID 24314
tert-Butyl glycidyl ether, (-)-
CID 12618335
(+)-tert-Butyl glycidyl ether
CID 11768605
Mercury,4-dioxane-2,6-diyl)bis(methylene)]]diiododi-
CID 415559
Molecular iodine;1,2,3-trimethoxypropane
CID 54267634
2-(1,3-Dimethoxypropan-2-yloxy)-2-methylpropane
CID 59134906
CID 60104620
CID 60104620
2-Methyl-2-[(propan-2-yloxy)methyl]oxirane
CID 66335977
2-[(2S)-2,3-dimethoxypropoxy]-2-methylpropane
CID 89582689
2-[2-Methoxy-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 117960642
2-(2,3-Dimethoxypropoxy)-2-methylpropane
CID 123212895
2-Methyl-1,2,3-tri(propan-2-yloxy)propane
CID 132080549

Frequently Asked Questions

What is the IUPAC name of [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite?
The IUPAC name of [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite (CID 87964568) is [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite.
What is the SMILES notation for [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite?
The canonical SMILES for [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite is CC(C)(C)OC(COI)COI.
What is the InChIKey of [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite?
The InChIKey is AIHPZJBIEXTMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14I2O3/c1-7(2,3)12-6(4-10-8)5-11-9/h6H,4-5H2,1-3H3.
What are the key properties of [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite?
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite has a molecular weight of 399.99 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite is sourced from PubChem (CID 87964568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).