(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene

C10H19O4P — CID 11447639

IUPAC(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene
SMILESC=CCO/C(=C\C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O4P/c1-5-9-12-10(6-2)15(11,13-7-3)14-8-4/h5-6H,1,7-9H2,2-4H3/b10-6+
InChIKeyWZWZXJCTHHKMTQ-UXBLZVDNSA-N
MW234.23 g/mol
LogP3.32
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene

(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene (PubChem CID 11447639) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene
PubChem CID11447639
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene
SMILESC=CCO/C(=C\C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O4P/c1-5-9-12-10(6-2)15(11,13-7-3)14-8-4/h5-6H,1,7-9H2,2-4H3/b10-6+
InChIKeyWZWZXJCTHHKMTQ-UXBLZVDNSA-N
XLogP3.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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'}

Analyze (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene (CID 11447639) is (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene is C=CCO/C(=C\C)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene?
The InChIKey is WZWZXJCTHHKMTQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19O4P/c1-5-9-12-10(6-2)15(11,13-7-3)14-8-4/h5-6H,1,7-9H2,2-4H3/b10-6+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene?
(E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene has a molecular weight of 234.23 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 11447639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).