(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium

C10H18N2O6 — CID 135541276

IUPAC(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium
SMILESCOC(=O)C(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C(=O)OC
InChIInChI=1S/C10H18N2O6/c1-9(2,7(13)17-5)11(15)12(16)10(3,4)8(14)18-6/h1-6H3/b12-11+
InChIKeyPBEPOOTUMWBYGU-VAWYXSNFSA-N
MW262.26 g/mol
LogP0.36
Rot. Bonds4

About (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium

(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium (PubChem CID 135541276) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium.

Molecular Properties

Compound Name(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium
PubChem CID135541276
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium
SMILESCOC(=O)C(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C(=O)OC
InChIInChI=1S/C10H18N2O6/c1-9(2,7(13)17-5)11(15)12(16)10(3,4)8(14)18-6/h1-6H3/b12-11+
InChIKeyPBEPOOTUMWBYGU-VAWYXSNFSA-N
XLogP0.36
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium?
The IUPAC name of (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium (CID 135541276) is (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium.
What is the SMILES notation for (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium?
The canonical SMILES for (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium is COC(=O)C(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C(=O)OC.
What is the InChIKey of (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium?
The InChIKey is PBEPOOTUMWBYGU-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-9(2,7(13)17-5)11(15)12(16)10(3,4)8(14)18-6/h1-6H3/b12-11+.
What are the key properties of (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium?
(E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium has a molecular weight of 262.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-methoxy-2-methyl-1-oxopropan-2-yl)-[(1-methoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium is sourced from PubChem (CID 135541276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).