3-ethoxyprop-1-en-2-yl diethyl phosphate

C9H19O5P — CID 138857502

IUPAC3-ethoxyprop-1-en-2-yl diethyl phosphate
SMILESC=C(COCC)OP(=O)(OCC)OCC
InChIInChI=1S/C9H19O5P/c1-5-11-8-9(4)14-15(10,12-6-2)13-7-3/h4-8H2,1-3H3
InChIKeyYLBODHZIESEECJ-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.73
Rot. Bonds9

About 3-ethoxyprop-1-en-2-yl diethyl phosphate

3-ethoxyprop-1-en-2-yl diethyl phosphate (PubChem CID 138857502) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-ethoxyprop-1-en-2-yl diethyl phosphate.

Molecular Properties

Compound Name3-ethoxyprop-1-en-2-yl diethyl phosphate
PubChem CID138857502
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name3-ethoxyprop-1-en-2-yl diethyl phosphate
SMILESC=C(COCC)OP(=O)(OCC)OCC
InChIInChI=1S/C9H19O5P/c1-5-11-8-9(4)14-15(10,12-6-2)13-7-3/h4-8H2,1-3H3
InChIKeyYLBODHZIESEECJ-UHFFFAOYSA-N
XLogP2.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyprop-1-en-2-yl diethyl phosphate?
The IUPAC name of 3-ethoxyprop-1-en-2-yl diethyl phosphate (CID 138857502) is 3-ethoxyprop-1-en-2-yl diethyl phosphate.
What is the SMILES notation for 3-ethoxyprop-1-en-2-yl diethyl phosphate?
The canonical SMILES for 3-ethoxyprop-1-en-2-yl diethyl phosphate is C=C(COCC)OP(=O)(OCC)OCC.
What is the InChIKey of 3-ethoxyprop-1-en-2-yl diethyl phosphate?
The InChIKey is YLBODHZIESEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-5-11-8-9(4)14-15(10,12-6-2)13-7-3/h4-8H2,1-3H3.
What are the key properties of 3-ethoxyprop-1-en-2-yl diethyl phosphate?
3-ethoxyprop-1-en-2-yl diethyl phosphate has a molecular weight of 238.22 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyprop-1-en-2-yl diethyl phosphate is sourced from PubChem (CID 138857502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).