bis[(2-methylpropan-2-yl)oxy]-oxoazanium

C8H18NO3+ — CID 14789776

IUPACbis[(2-methylpropan-2-yl)oxy]-oxoazanium
SMILESCC(C)(C)O[N+](=O)OC(C)(C)C
InChIInChI=1S/C8H18NO3/c1-7(2,3)11-9(10)12-8(4,5)6/h1-6H3/q+1
InChIKeyQOWOVZYITISCGD-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.23
Rot. Bonds2

About bis[(2-methylpropan-2-yl)oxy]-oxoazanium

bis[(2-methylpropan-2-yl)oxy]-oxoazanium (PubChem CID 14789776) has the molecular formula C8H18NO3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]-oxoazanium.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]-oxoazanium
PubChem CID14789776
Molecular FormulaC8H18NO3+
Molecular Weight176.24 g/mol
Exact Mass176.13
IUPAC Namebis[(2-methylpropan-2-yl)oxy]-oxoazanium
SMILESCC(C)(C)O[N+](=O)OC(C)(C)C
InChIInChI=1S/C8H18NO3/c1-7(2,3)11-9(10)12-8(4,5)6/h1-6H3/q+1
InChIKeyQOWOVZYITISCGD-UHFFFAOYSA-N
XLogP2.23
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]-oxoazanium?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]-oxoazanium (CID 14789776) is bis[(2-methylpropan-2-yl)oxy]-oxoazanium.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]-oxoazanium?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]-oxoazanium is CC(C)(C)O[N+](=O)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]-oxoazanium?
The InChIKey is QOWOVZYITISCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3/c1-7(2,3)11-9(10)12-8(4,5)6/h1-6H3/q+1.
What are the key properties of bis[(2-methylpropan-2-yl)oxy]-oxoazanium?
bis[(2-methylpropan-2-yl)oxy]-oxoazanium has a molecular weight of 176.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]-oxoazanium is sourced from PubChem (CID 14789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).