dimethylphosphoryloxy(methoxy)methane

C4H11O3P — CID 22951907

IUPACdimethylphosphoryloxy(methoxy)methane
SMILESCOCOP(C)(C)=O
InChIInChI=1S/C4H11O3P/c1-6-4-7-8(2,3)5/h4H2,1-3H3
InChIKeyIASLIUFBSDXZOP-UHFFFAOYSA-N
MW138.10 g/mol
LogP1.14
Rot. Bonds3

About dimethylphosphoryloxy(methoxy)methane

dimethylphosphoryloxy(methoxy)methane (PubChem CID 22951907) has the molecular formula C4H11O3P and a molecular weight of 138.10 g/mol. Its IUPAC name is dimethylphosphoryloxy(methoxy)methane.

Molecular Properties

Compound Namedimethylphosphoryloxy(methoxy)methane
PubChem CID22951907
Molecular FormulaC4H11O3P
Molecular Weight138.10 g/mol
Exact Mass138.04
IUPAC Namedimethylphosphoryloxy(methoxy)methane
SMILESCOCOP(C)(C)=O
InChIInChI=1S/C4H11O3P/c1-6-4-7-8(2,3)5/h4H2,1-3H3
InChIKeyIASLIUFBSDXZOP-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 51.14
H-Bond Donors ≤ 50
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'}

Analyze dimethylphosphoryloxy(methoxy)methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryloxy(methoxy)methane?
The IUPAC name of dimethylphosphoryloxy(methoxy)methane (CID 22951907) is dimethylphosphoryloxy(methoxy)methane.
What is the SMILES notation for dimethylphosphoryloxy(methoxy)methane?
The canonical SMILES for dimethylphosphoryloxy(methoxy)methane is COCOP(C)(C)=O.
What is the InChIKey of dimethylphosphoryloxy(methoxy)methane?
The InChIKey is IASLIUFBSDXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P/c1-6-4-7-8(2,3)5/h4H2,1-3H3.
What are the key properties of dimethylphosphoryloxy(methoxy)methane?
dimethylphosphoryloxy(methoxy)methane has a molecular weight of 138.10 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryloxy(methoxy)methane is sourced from PubChem (CID 22951907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).