dimethoxymethyl-hydroxy-oxophosphanium

C3H8O4P+ — CID 12601980

IUPACdimethoxymethyl-hydroxy-oxophosphanium
SMILESCOC(OC)[P+](=O)O
InChIInChI=1S/C3H7O4P/c1-6-3(7-2)8(4)5/h3H,1-2H3/p+1
InChIKeyHWNSUZKHMZTBJD-UHFFFAOYSA-O
MW139.07 g/mol
LogP0.30
Rot. Bonds3

About dimethoxymethyl-hydroxy-oxophosphanium

dimethoxymethyl-hydroxy-oxophosphanium (PubChem CID 12601980) has the molecular formula C3H8O4P+ and a molecular weight of 139.07 g/mol. Its IUPAC name is dimethoxymethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Namedimethoxymethyl-hydroxy-oxophosphanium
PubChem CID12601980
Molecular FormulaC3H8O4P+
Molecular Weight139.07 g/mol
Exact Mass139.02
IUPAC Namedimethoxymethyl-hydroxy-oxophosphanium
SMILESCOC(OC)[P+](=O)O
InChIInChI=1S/C3H7O4P/c1-6-3(7-2)8(4)5/h3H,1-2H3/p+1
InChIKeyHWNSUZKHMZTBJD-UHFFFAOYSA-O
XLogP0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 dimethoxymethyl-hydroxy-oxophosphanium?
The IUPAC name of dimethoxymethyl-hydroxy-oxophosphanium (CID 12601980) is dimethoxymethyl-hydroxy-oxophosphanium.
What is the SMILES notation for dimethoxymethyl-hydroxy-oxophosphanium?
The canonical SMILES for dimethoxymethyl-hydroxy-oxophosphanium is COC(OC)[P+](=O)O.
What is the InChIKey of dimethoxymethyl-hydroxy-oxophosphanium?
The InChIKey is HWNSUZKHMZTBJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O4P/c1-6-3(7-2)8(4)5/h3H,1-2H3/p+1.
What are the key properties of dimethoxymethyl-hydroxy-oxophosphanium?
dimethoxymethyl-hydroxy-oxophosphanium has a molecular weight of 139.07 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 12601980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).