ethyl phosphate

C2H5O4P-2 — CID 12691392

IUPACethyl phosphate
SMILESCCOP(=O)([O-])[O-]
InChIInChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-2
InChIKeyZJXZSIYSNXKHEA-UHFFFAOYSA-L
MW124.03 g/mol
LogP-1.15
Rot. Bonds2

About ethyl phosphate

ethyl phosphate (PubChem CID 12691392) has the molecular formula C2H5O4P-2 and a molecular weight of 124.03 g/mol. Its IUPAC name is ethyl phosphate.

Molecular Properties

Compound Nameethyl phosphate
PubChem CID12691392
Molecular FormulaC2H5O4P-2
Molecular Weight124.03 g/mol
Exact Mass123.99
IUPAC Nameethyl phosphate
SMILESCCOP(=O)([O-])[O-]
InChIInChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-2
InChIKeyZJXZSIYSNXKHEA-UHFFFAOYSA-L
XLogP-1.15
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.03
LogP ≤ 5-1.15
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 ethyl phosphate?
The IUPAC name of ethyl phosphate (CID 12691392) is ethyl phosphate.
What is the SMILES notation for ethyl phosphate?
The canonical SMILES for ethyl phosphate is CCOP(=O)([O-])[O-].
What is the InChIKey of ethyl phosphate?
The InChIKey is ZJXZSIYSNXKHEA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)/p-2.
What are the key properties of ethyl phosphate?
ethyl phosphate has a molecular weight of 124.03 g/mol, XLogP of -1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl phosphate is sourced from PubChem (CID 12691392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).