diethyl phosphate

C4H10O4P- — CID 5166299

IUPACdiethyl phosphate
SMILESCCOP(=O)([O-])OCC
InChIInChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)/p-1
InChIKeyUCQFCFPECQILOL-UHFFFAOYSA-M
MW153.09 g/mol
LogP0.53
Rot. Bonds4

About diethyl phosphate

diethyl phosphate (PubChem CID 5166299) has the molecular formula C4H10O4P- and a molecular weight of 153.09 g/mol. Its IUPAC name is diethyl phosphate.

Molecular Properties

Compound Namediethyl phosphate
PubChem CID5166299
Molecular FormulaC4H10O4P-
Molecular Weight153.09 g/mol
Exact Mass153.03
IUPAC Namediethyl phosphate
SMILESCCOP(=O)([O-])OCC
InChIInChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)/p-1
InChIKeyUCQFCFPECQILOL-UHFFFAOYSA-M
XLogP0.53
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.09
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 phosphate?
The IUPAC name of diethyl phosphate (CID 5166299) is diethyl phosphate.
What is the SMILES notation for diethyl phosphate?
The canonical SMILES for diethyl phosphate is CCOP(=O)([O-])OCC.
What is the InChIKey of diethyl phosphate?
The InChIKey is UCQFCFPECQILOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)/p-1.
What are the key properties of diethyl phosphate?
diethyl phosphate has a molecular weight of 153.09 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phosphate is sourced from PubChem (CID 5166299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).