1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane

C10H19O4P — CID 54349066

IUPAC1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(=O)(OCCC)C(=C)OCC
InChIInChI=1S/C10H19O4P/c1-5-8-13-15(11,14-9-6-2)10(4)12-7-3/h5H,1,4,6-9H2,2-3H3
InChIKeyUEKFTQJRBXEWFA-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.32
Rot. Bonds9

About 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane

1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane (PubChem CID 54349066) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane
PubChem CID54349066
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane
SMILESC=CCOP(=O)(OCCC)C(=C)OCC
InChIInChI=1S/C10H19O4P/c1-5-8-13-15(11,14-9-6-2)10(4)12-7-3/h5H,1,4,6-9H2,2-3H3
InChIKeyUEKFTQJRBXEWFA-UHFFFAOYSA-N
XLogP3.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane (CID 54349066) is 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane is C=CCOP(=O)(OCCC)C(=C)OCC.
What is the InChIKey of 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane?
The InChIKey is UEKFTQJRBXEWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-5-8-13-15(11,14-9-6-2)10(4)12-7-3/h5H,1,4,6-9H2,2-3H3.
What are the key properties of 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane?
1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane has a molecular weight of 234.23 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethoxyethenyl(prop-2-enoxy)phosphoryl]oxypropane is sourced from PubChem (CID 54349066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).