methoxy-(nitromethoxy)-oxophosphanium

C2H5NO5P+ — CID 22982162

IUPACmethoxy-(nitromethoxy)-oxophosphanium
SMILESCO[P+](=O)OC[N+](=O)[O-]
InChIInChI=1S/C2H5NO5P/c1-7-9(6)8-2-3(4)5/h2H2,1H3/q+1
InChIKeyUOTDHQICCIWCFF-UHFFFAOYSA-N
MW154.04 g/mol
LogP0.54
Rot. Bonds4

About methoxy-(nitromethoxy)-oxophosphanium

methoxy-(nitromethoxy)-oxophosphanium (PubChem CID 22982162) has the molecular formula C2H5NO5P+ and a molecular weight of 154.04 g/mol. Its IUPAC name is methoxy-(nitromethoxy)-oxophosphanium.

Molecular Properties

Compound Namemethoxy-(nitromethoxy)-oxophosphanium
PubChem CID22982162
Molecular FormulaC2H5NO5P+
Molecular Weight154.04 g/mol
Exact Mass153.99
IUPAC Namemethoxy-(nitromethoxy)-oxophosphanium
SMILESCO[P+](=O)OC[N+](=O)[O-]
InChIInChI=1S/C2H5NO5P/c1-7-9(6)8-2-3(4)5/h2H2,1H3/q+1
InChIKeyUOTDHQICCIWCFF-UHFFFAOYSA-N
XLogP0.54
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methoxy-(nitromethoxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitromethyl hypofluorite
CID 154094120
nitromethoxyazanium
CID 20579199
1-(nitromethoxy)propane
CID 126717739
tetrakis(nitromethoxy)methane
CID 58434412
methoxy-(2-methoxyethylperoxy)-oxophosphanium
CID 173201044
methyl nitrate
CID 11724
1-nitro(113C)ethane
CID 71309579
1-(nitromethoxy)butane
CID 123841450
calcium methyl nitrate
CID 87508998
sodium methoxy-oxido-oxophosphanium
CID 23678289
[diethyl-[methoxy(oxo)phosphaniumyl]oxysilyl]oxy-methoxy-oxophosphanium
CID 156665033
tetrasilver;tetranitrate
CID 172745321

Frequently Asked Questions

What is the IUPAC name of methoxy-(nitromethoxy)-oxophosphanium?
The IUPAC name of methoxy-(nitromethoxy)-oxophosphanium (CID 22982162) is methoxy-(nitromethoxy)-oxophosphanium.
What is the SMILES notation for methoxy-(nitromethoxy)-oxophosphanium?
The canonical SMILES for methoxy-(nitromethoxy)-oxophosphanium is CO[P+](=O)OC[N+](=O)[O-].
What is the InChIKey of methoxy-(nitromethoxy)-oxophosphanium?
The InChIKey is UOTDHQICCIWCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5P/c1-7-9(6)8-2-3(4)5/h2H2,1H3/q+1.
What are the key properties of methoxy-(nitromethoxy)-oxophosphanium?
methoxy-(nitromethoxy)-oxophosphanium has a molecular weight of 154.04 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(nitromethoxy)-oxophosphanium is sourced from PubChem (CID 22982162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).