diethyl hydrogen phosphate

C4H11O4P — CID 654

IUPACdiethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC
InChIInChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKeyUCQFCFPECQILOL-UHFFFAOYSA-N
MW154.10 g/mol
LogP1.16
Rot. Bonds4

About diethyl hydrogen phosphate

diethyl hydrogen phosphate (PubChem CID 654) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is diethyl hydrogen phosphate.

Molecular Properties

Compound Namediethyl hydrogen phosphate
PubChem CID654
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Namediethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC
InChIInChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKeyUCQFCFPECQILOL-UHFFFAOYSA-N
XLogP1.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 diethyl hydrogen phosphate?
The IUPAC name of diethyl hydrogen phosphate (CID 654) is diethyl hydrogen phosphate.
What is the SMILES notation for diethyl hydrogen phosphate?
The canonical SMILES for diethyl hydrogen phosphate is CCOP(=O)(O)OCC.
What is the InChIKey of diethyl hydrogen phosphate?
The InChIKey is UCQFCFPECQILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6).
What are the key properties of diethyl hydrogen phosphate?
diethyl hydrogen phosphate has a molecular weight of 154.10 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate is sourced from PubChem (CID 654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).