dimethoxymethoxy(oxo)phosphanium

C3H8O4P+ — CID 173097735

IUPACdimethoxymethoxy(oxo)phosphanium
SMILESCOC(OC)O[PH+]=O
InChIInChI=1S/C3H8O4P/c1-5-3(6-2)7-8-4/h3,8H,1-2H3/q+1
InChIKeyNHZJJTPTTANNEP-UHFFFAOYSA-N
MW139.07 g/mol
LogP0.52
Rot. Bonds4

About dimethoxymethoxy(oxo)phosphanium

dimethoxymethoxy(oxo)phosphanium (PubChem CID 173097735) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is dimethoxymethoxy(oxo)phosphanium.

Molecular Properties

Compound Namedimethoxymethoxy(oxo)phosphanium
PubChem CID173097735
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Namedimethoxymethoxy(oxo)phosphanium
SMILESCOC(OC)O[PH+]=O
InChIInChI=1S/C3H8O4P/c1-5-3(6-2)7-8-4/h3,8H,1-2H3/q+1
InChIKeyNHZJJTPTTANNEP-UHFFFAOYSA-N
XLogP0.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 50.52
H-Bond Donors ≤ 50
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 dimethoxymethoxy(oxo)phosphanium?
The IUPAC name of dimethoxymethoxy(oxo)phosphanium (CID 173097735) is dimethoxymethoxy(oxo)phosphanium.
What is the SMILES notation for dimethoxymethoxy(oxo)phosphanium?
The canonical SMILES for dimethoxymethoxy(oxo)phosphanium is COC(OC)O[PH+]=O.
What is the InChIKey of dimethoxymethoxy(oxo)phosphanium?
The InChIKey is NHZJJTPTTANNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4P/c1-5-3(6-2)7-8-4/h3,8H,1-2H3/q+1.
What are the key properties of dimethoxymethoxy(oxo)phosphanium?
dimethoxymethoxy(oxo)phosphanium has a molecular weight of 139.07 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethoxy(oxo)phosphanium is sourced from PubChem (CID 173097735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).