methoxy-(methylaminomethoxy)-oxophosphanium

C3H9NO3P+ — CID 175632915

IUPACmethoxy-(methylaminomethoxy)-oxophosphanium
SMILESCNCO[P+](=O)OC
InChIInChI=1S/C3H9NO3P/c1-4-3-7-8(5)6-2/h4H,3H2,1-2H3/q+1
InChIKeyJBDCTBYFILVRBN-UHFFFAOYSA-N
MW138.08 g/mol
LogP0.48
Rot. Bonds4

About methoxy-(methylaminomethoxy)-oxophosphanium

methoxy-(methylaminomethoxy)-oxophosphanium (PubChem CID 175632915) has the molecular formula C3H9NO3P+ and a molecular weight of 138.08 g/mol. Its IUPAC name is methoxy-(methylaminomethoxy)-oxophosphanium.

Molecular Properties

Compound Namemethoxy-(methylaminomethoxy)-oxophosphanium
PubChem CID175632915
Molecular FormulaC3H9NO3P+
Molecular Weight138.08 g/mol
Exact Mass138.03
IUPAC Namemethoxy-(methylaminomethoxy)-oxophosphanium
SMILESCNCO[P+](=O)OC
InChIInChI=1S/C3H9NO3P/c1-4-3-7-8(5)6-2/h4H,3H2,1-2H3/q+1
InChIKeyJBDCTBYFILVRBN-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.08
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-(methylaminomethoxy)-oxophosphanium?
The IUPAC name of methoxy-(methylaminomethoxy)-oxophosphanium (CID 175632915) is methoxy-(methylaminomethoxy)-oxophosphanium.
What is the SMILES notation for methoxy-(methylaminomethoxy)-oxophosphanium?
The canonical SMILES for methoxy-(methylaminomethoxy)-oxophosphanium is CNCO[P+](=O)OC.
What is the InChIKey of methoxy-(methylaminomethoxy)-oxophosphanium?
The InChIKey is JBDCTBYFILVRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3P/c1-4-3-7-8(5)6-2/h4H,3H2,1-2H3/q+1.
What are the key properties of methoxy-(methylaminomethoxy)-oxophosphanium?
methoxy-(methylaminomethoxy)-oxophosphanium has a molecular weight of 138.08 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(methylaminomethoxy)-oxophosphanium is sourced from PubChem (CID 175632915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).