1,1-bis(dimethylphosphoryl)ethanolate

C6H15O3P2- — CID 59782229

IUPAC1,1-bis(dimethylphosphoryl)ethanolate
SMILESCC([O-])(P(C)(C)=O)P(C)(C)=O
InChIInChI=1S/C6H15O3P2/c1-6(7,10(2,3)8)11(4,5)9/h1-5H3/q-1
InChIKeyYFLOECZIRZAMRL-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.27
Rot. Bonds2

About 1,1-bis(dimethylphosphoryl)ethanolate

1,1-bis(dimethylphosphoryl)ethanolate (PubChem CID 59782229) has the molecular formula C6H15O3P2- and a molecular weight of 197.13 g/mol. Its IUPAC name is 1,1-bis(dimethylphosphoryl)ethanolate.

Molecular Properties

Compound Name1,1-bis(dimethylphosphoryl)ethanolate
PubChem CID59782229
Molecular FormulaC6H15O3P2-
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name1,1-bis(dimethylphosphoryl)ethanolate
SMILESCC([O-])(P(C)(C)=O)P(C)(C)=O
InChIInChI=1S/C6H15O3P2/c1-6(7,10(2,3)8)11(4,5)9/h1-5H3/q-1
InChIKeyYFLOECZIRZAMRL-UHFFFAOYSA-N
XLogP1.27
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(dimethylphosphoryl)ethanolate?
The IUPAC name of 1,1-bis(dimethylphosphoryl)ethanolate (CID 59782229) is 1,1-bis(dimethylphosphoryl)ethanolate.
What is the SMILES notation for 1,1-bis(dimethylphosphoryl)ethanolate?
The canonical SMILES for 1,1-bis(dimethylphosphoryl)ethanolate is CC([O-])(P(C)(C)=O)P(C)(C)=O.
What is the InChIKey of 1,1-bis(dimethylphosphoryl)ethanolate?
The InChIKey is YFLOECZIRZAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P2/c1-6(7,10(2,3)8)11(4,5)9/h1-5H3/q-1.
What are the key properties of 1,1-bis(dimethylphosphoryl)ethanolate?
1,1-bis(dimethylphosphoryl)ethanolate has a molecular weight of 197.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(dimethylphosphoryl)ethanolate is sourced from PubChem (CID 59782229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).