2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane

C6H16N2O6 — CID 163832329

IUPAC2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane
SMILESCC(C)O[NH+]([O-])OO[NH+]([O-])OC(C)C
InChIInChI=1S/C6H16N2O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-8H,1-4H3
InChIKeyOERVVBADLNYJJO-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.79
Rot. Bonds7

About 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane

2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane (PubChem CID 163832329) has the molecular formula C6H16N2O6 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane.

Molecular Properties

Compound Name2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane
PubChem CID163832329
Molecular FormulaC6H16N2O6
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane
SMILESCC(C)O[NH+]([O-])OO[NH+]([O-])OC(C)C
InChIInChI=1S/C6H16N2O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-8H,1-4H3
InChIKeyOERVVBADLNYJJO-UHFFFAOYSA-N
XLogP-1.79
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide
CID 163584833
1-hydroxy-N-(1-hydroxyethyl)ethanamine oxide
CID 18519471
N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide
CID 163913933
difluoro propan-2-yl phosphate
CID 87647761
propan-2-yloxyazanium
CID 3354244
propan-2-yl 2-silylprop-2-enoate
CID 173200883
diazanium;ethene;bis(propan-2-yl carbonate)
CID 158304225
methylidene-(2-methylpropyl)-di(propan-2-yloxy)-λ5-phosphane
CID 167648199
1-(methyldisulfanyl)-1-propan-2-yloxypropan-2-ol
CID 169266889
2-dimethylphosphoryloxypropane
CID 12572720
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
methyl(propan-2-yloxy)phosphinite
CID 18981685

Frequently Asked Questions

What is the IUPAC name of 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane?
The IUPAC name of 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane (CID 163832329) is 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane.
What is the SMILES notation for 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane?
The canonical SMILES for 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane is CC(C)O[NH+]([O-])OO[NH+]([O-])OC(C)C.
What is the InChIKey of 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane?
The InChIKey is OERVVBADLNYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-8H,1-4H3.
What are the key properties of 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane?
2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane has a molecular weight of 212.20 g/mol, XLogP of -1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane is sourced from PubChem (CID 163832329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).