sodium diethyl phosphate

C4H10NaO4P — CID 23668382

IUPACsodium diethyl phosphate
SMILESCCOP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C4H11O4P.Na/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);/q;+1/p-1
InChIKeyGUCVHDYRKMSBOJ-UHFFFAOYSA-M
MW176.08 g/mol
LogP-2.47
Rot. Bonds4

About sodium diethyl phosphate

sodium diethyl phosphate (PubChem CID 23668382) has the molecular formula C4H10NaO4P and a molecular weight of 176.08 g/mol. Its IUPAC name is sodium diethyl phosphate.

Molecular Properties

Compound Namesodium diethyl phosphate
PubChem CID23668382
Molecular FormulaC4H10NaO4P
Molecular Weight176.08 g/mol
Exact Mass176.02
IUPAC Namesodium diethyl phosphate
SMILESCCOP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C4H11O4P.Na/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);/q;+1/p-1
InChIKeyGUCVHDYRKMSBOJ-UHFFFAOYSA-M
XLogP-2.47
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Diethyl methylphosphonate
CID 12685
Phosphoric acid, monobutyl ester, sodium salt (1:2)
CID 163035
Dipropyl phosphate
CID 74544
Diethyl phosphoric acid
CID 5166299
Ethyl phosphate(2-)
CID 12691392
Phosphoric acid, diethyl propyl ester
CID 69943
Ethyl dimethyl phosphate
CID 82641
Diethyl methyl phosphate
CID 120420

Frequently Asked Questions

What is the IUPAC name of sodium diethyl phosphate?
The IUPAC name of sodium diethyl phosphate (CID 23668382) is sodium diethyl phosphate.
What is the SMILES notation for sodium diethyl phosphate?
The canonical SMILES for sodium diethyl phosphate is CCOP(=O)([O-])OCC.[Na+].
What is the InChIKey of sodium diethyl phosphate?
The InChIKey is GUCVHDYRKMSBOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O4P.Na/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium diethyl phosphate?
sodium diethyl phosphate has a molecular weight of 176.08 g/mol, XLogP of -2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium diethyl phosphate is sourced from PubChem (CID 23668382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).