diazo-dimethoxyphosphoryl-methoxymethane

C4H9N2O4P — CID 141352657

IUPACdiazo-dimethoxyphosphoryl-methoxymethane
SMILESCOC(=[N+]=[N-])P(=O)(OC)OC
InChIInChI=1S/C4H9N2O4P/c1-8-4(6-5)11(7,9-2)10-3/h1-3H3
InChIKeyGIRYLMYNZLFHNQ-UHFFFAOYSA-N
MW180.10 g/mol
LogP0.70
Rot. Bonds3

About diazo-dimethoxyphosphoryl-methoxymethane

diazo-dimethoxyphosphoryl-methoxymethane (PubChem CID 141352657) has the molecular formula C4H9N2O4P and a molecular weight of 180.10 g/mol. Its IUPAC name is diazo-dimethoxyphosphoryl-methoxymethane.

Molecular Properties

Compound Namediazo-dimethoxyphosphoryl-methoxymethane
PubChem CID141352657
Molecular FormulaC4H9N2O4P
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Namediazo-dimethoxyphosphoryl-methoxymethane
SMILESCOC(=[N+]=[N-])P(=O)(OC)OC
InChIInChI=1S/C4H9N2O4P/c1-8-4(6-5)11(7,9-2)10-3/h1-3H3
InChIKeyGIRYLMYNZLFHNQ-UHFFFAOYSA-N
XLogP0.70
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazo-dimethoxyphosphoryl-methoxymethane?
The IUPAC name of diazo-dimethoxyphosphoryl-methoxymethane (CID 141352657) is diazo-dimethoxyphosphoryl-methoxymethane.
What is the SMILES notation for diazo-dimethoxyphosphoryl-methoxymethane?
The canonical SMILES for diazo-dimethoxyphosphoryl-methoxymethane is COC(=[N+]=[N-])P(=O)(OC)OC.
What is the InChIKey of diazo-dimethoxyphosphoryl-methoxymethane?
The InChIKey is GIRYLMYNZLFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O4P/c1-8-4(6-5)11(7,9-2)10-3/h1-3H3.
What are the key properties of diazo-dimethoxyphosphoryl-methoxymethane?
diazo-dimethoxyphosphoryl-methoxymethane has a molecular weight of 180.10 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazo-dimethoxyphosphoryl-methoxymethane is sourced from PubChem (CID 141352657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).