[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate

C10H20O7P2 — CID 14086645

IUPAC[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC)OP(=O)(OCC)OCC=C
InChIInChI=1S/C10H20O7P2/c1-5-9-15-18(11,13-7-3)17-19(12,14-8-4)16-10-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUCGHLXUPLPLFOF-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.70
Rot. Bonds12

About [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate

[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate (PubChem CID 14086645) has the molecular formula C10H20O7P2 and a molecular weight of 314.21 g/mol. Its IUPAC name is [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate.

Molecular Properties

Compound Name[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
PubChem CID14086645
Molecular FormulaC10H20O7P2
Molecular Weight314.21 g/mol
Exact Mass314.07
IUPAC Name[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC)OP(=O)(OCC)OCC=C
InChIInChI=1S/C10H20O7P2/c1-5-9-15-18(11,13-7-3)17-19(12,14-8-4)16-10-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUCGHLXUPLPLFOF-UHFFFAOYSA-N
XLogP3.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate?
The IUPAC name of [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate (CID 14086645) is [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate.
What is the SMILES notation for [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate?
The canonical SMILES for [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate is C=CCOP(=O)(OCC)OP(=O)(OCC)OCC=C.
What is the InChIKey of [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate?
The InChIKey is UCGHLXUPLPLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O7P2/c1-5-9-15-18(11,13-7-3)17-19(12,14-8-4)16-10-6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate?
[ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate has a molecular weight of 314.21 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate is sourced from PubChem (CID 14086645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).