diethyl 2-hydroxyethyl phosphate

C6H15O5P — CID 14892894

IUPACdiethyl 2-hydroxyethyl phosphate
SMILESCCOP(=O)(OCC)OCCO
InChIInChI=1S/C6H15O5P/c1-3-9-12(8,10-4-2)11-6-5-7/h7H,3-6H2,1-2H3
InChIKeyABUPITQJZCZPNC-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.18
Rot. Bonds7

About diethyl 2-hydroxyethyl phosphate

diethyl 2-hydroxyethyl phosphate (PubChem CID 14892894) has the molecular formula C6H15O5P and a molecular weight of 198.15 g/mol. Its IUPAC name is diethyl 2-hydroxyethyl phosphate.

Molecular Properties

Compound Namediethyl 2-hydroxyethyl phosphate
PubChem CID14892894
Molecular FormulaC6H15O5P
Molecular Weight198.15 g/mol
Exact Mass198.07
IUPAC Namediethyl 2-hydroxyethyl phosphate
SMILESCCOP(=O)(OCC)OCCO
InChIInChI=1S/C6H15O5P/c1-3-9-12(8,10-4-2)11-6-5-7/h7H,3-6H2,1-2H3
InChIKeyABUPITQJZCZPNC-UHFFFAOYSA-N
XLogP1.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-hydroxyethyl phosphate?
The IUPAC name of diethyl 2-hydroxyethyl phosphate (CID 14892894) is diethyl 2-hydroxyethyl phosphate.
What is the SMILES notation for diethyl 2-hydroxyethyl phosphate?
The canonical SMILES for diethyl 2-hydroxyethyl phosphate is CCOP(=O)(OCC)OCCO.
What is the InChIKey of diethyl 2-hydroxyethyl phosphate?
The InChIKey is ABUPITQJZCZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5P/c1-3-9-12(8,10-4-2)11-6-5-7/h7H,3-6H2,1-2H3.
What are the key properties of diethyl 2-hydroxyethyl phosphate?
diethyl 2-hydroxyethyl phosphate has a molecular weight of 198.15 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-hydroxyethyl phosphate is sourced from PubChem (CID 14892894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).