bis(2-methylbutan-2-yloxy)-oxoazanium

C10H22NO3+ — CID 57244035

IUPACbis(2-methylbutan-2-yloxy)-oxoazanium
SMILESCCC(C)(C)O[N+](=O)OC(C)(C)CC
InChIInChI=1S/C10H22NO3/c1-7-9(3,4)13-11(12)14-10(5,6)8-2/h7-8H2,1-6H3/q+1
InChIKeyMJSHSGPWFHMOMS-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.01
Rot. Bonds6

About bis(2-methylbutan-2-yloxy)-oxoazanium

bis(2-methylbutan-2-yloxy)-oxoazanium (PubChem CID 57244035) has the molecular formula C10H22NO3+ and a molecular weight of 204.29 g/mol. Its IUPAC name is bis(2-methylbutan-2-yloxy)-oxoazanium.

Molecular Properties

Compound Namebis(2-methylbutan-2-yloxy)-oxoazanium
PubChem CID57244035
Molecular FormulaC10H22NO3+
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Namebis(2-methylbutan-2-yloxy)-oxoazanium
SMILESCCC(C)(C)O[N+](=O)OC(C)(C)CC
InChIInChI=1S/C10H22NO3/c1-7-9(3,4)13-11(12)14-10(5,6)8-2/h7-8H2,1-6H3/q+1
InChIKeyMJSHSGPWFHMOMS-UHFFFAOYSA-N
XLogP3.01
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.01
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-methylbutan-2-yloxy)-oxoazanium?
The IUPAC name of bis(2-methylbutan-2-yloxy)-oxoazanium (CID 57244035) is bis(2-methylbutan-2-yloxy)-oxoazanium.
What is the SMILES notation for bis(2-methylbutan-2-yloxy)-oxoazanium?
The canonical SMILES for bis(2-methylbutan-2-yloxy)-oxoazanium is CCC(C)(C)O[N+](=O)OC(C)(C)CC.
What is the InChIKey of bis(2-methylbutan-2-yloxy)-oxoazanium?
The InChIKey is MJSHSGPWFHMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3/c1-7-9(3,4)13-11(12)14-10(5,6)8-2/h7-8H2,1-6H3/q+1.
What are the key properties of bis(2-methylbutan-2-yloxy)-oxoazanium?
bis(2-methylbutan-2-yloxy)-oxoazanium has a molecular weight of 204.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-yloxy)-oxoazanium is sourced from PubChem (CID 57244035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).