bis[(methoxyamino)oxy]methane

C3H10N2O4 — CID 160989408

IUPACbis[(methoxyamino)oxy]methane
SMILESCONOCONOC
InChIInChI=1S/C3H10N2O4/c1-6-4-8-3-9-5-7-2/h4-5H,3H2,1-2H3
InChIKeyTUKPBPMRUJHBCG-UHFFFAOYSA-N
MW138.12 g/mol
LogP-0.89
Rot. Bonds6

About bis[(methoxyamino)oxy]methane

bis[(methoxyamino)oxy]methane (PubChem CID 160989408) has the molecular formula C3H10N2O4 and a molecular weight of 138.12 g/mol. Its IUPAC name is bis[(methoxyamino)oxy]methane.

Molecular Properties

Compound Namebis[(methoxyamino)oxy]methane
PubChem CID160989408
Molecular FormulaC3H10N2O4
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Namebis[(methoxyamino)oxy]methane
SMILESCONOCONOC
InChIInChI=1S/C3H10N2O4/c1-6-4-8-3-9-5-7-2/h4-5H,3H2,1-2H3
InChIKeyTUKPBPMRUJHBCG-UHFFFAOYSA-N
XLogP-0.89
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(methoxyamino)oxy]methane?
The IUPAC name of bis[(methoxyamino)oxy]methane (CID 160989408) is bis[(methoxyamino)oxy]methane.
What is the SMILES notation for bis[(methoxyamino)oxy]methane?
The canonical SMILES for bis[(methoxyamino)oxy]methane is CONOCONOC.
What is the InChIKey of bis[(methoxyamino)oxy]methane?
The InChIKey is TUKPBPMRUJHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O4/c1-6-4-8-3-9-5-7-2/h4-5H,3H2,1-2H3.
What are the key properties of bis[(methoxyamino)oxy]methane?
bis[(methoxyamino)oxy]methane has a molecular weight of 138.12 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(methoxyamino)oxy]methane is sourced from PubChem (CID 160989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).