dimethylphosphoryloxymethane

C3H9O2P — CID 11701032

IUPACdimethylphosphoryloxymethane
SMILESCOP(C)(C)=O
InChIInChI=1S/C3H9O2P/c1-5-6(2,3)4/h1-3H3
InChIKeyHAXBLJDZJKJLHZ-UHFFFAOYSA-N
MW108.08 g/mol
LogP1.17
Rot. Bonds1

About dimethylphosphoryloxymethane

dimethylphosphoryloxymethane (PubChem CID 11701032) has the molecular formula C3H9O2P and a molecular weight of 108.08 g/mol. Its IUPAC name is dimethylphosphoryloxymethane.

Molecular Properties

Compound Namedimethylphosphoryloxymethane
PubChem CID11701032
Molecular FormulaC3H9O2P
Molecular Weight108.08 g/mol
Exact Mass108.03
IUPAC Namedimethylphosphoryloxymethane
SMILESCOP(C)(C)=O
InChIInChI=1S/C3H9O2P/c1-5-6(2,3)4/h1-3H3
InChIKeyHAXBLJDZJKJLHZ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.08
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryloxymethane?
The IUPAC name of dimethylphosphoryloxymethane (CID 11701032) is dimethylphosphoryloxymethane.
What is the SMILES notation for dimethylphosphoryloxymethane?
The canonical SMILES for dimethylphosphoryloxymethane is COP(C)(C)=O.
What is the InChIKey of dimethylphosphoryloxymethane?
The InChIKey is HAXBLJDZJKJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2P/c1-5-6(2,3)4/h1-3H3.
What are the key properties of dimethylphosphoryloxymethane?
dimethylphosphoryloxymethane has a molecular weight of 108.08 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryloxymethane is sourced from PubChem (CID 11701032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).