1-diethoxyphosphoryl-1-ethoxyprop-1-ene

C9H19O4P — CID 71329081

IUPAC1-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCC=C(OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-9(11-6-2)14(10,12-7-3)13-8-4/h5H,6-8H2,1-4H3
InChIKeyKVHRZHCYCBKRHS-UHFFFAOYSA-N
MW222.22 g/mol
LogP3.15
Rot. Bonds7

About 1-diethoxyphosphoryl-1-ethoxyprop-1-ene

1-diethoxyphosphoryl-1-ethoxyprop-1-ene (PubChem CID 71329081) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-ethoxyprop-1-ene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-ethoxyprop-1-ene
PubChem CID71329081
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name1-diethoxyphosphoryl-1-ethoxyprop-1-ene
SMILESCC=C(OCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-5-9(11-6-2)14(10,12-7-3)13-8-4/h5H,6-8H2,1-4H3
InChIKeyKVHRZHCYCBKRHS-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The IUPAC name of 1-diethoxyphosphoryl-1-ethoxyprop-1-ene (CID 71329081) is 1-diethoxyphosphoryl-1-ethoxyprop-1-ene.
What is the SMILES notation for 1-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The canonical SMILES for 1-diethoxyphosphoryl-1-ethoxyprop-1-ene is CC=C(OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-ethoxyprop-1-ene?
The InChIKey is KVHRZHCYCBKRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-5-9(11-6-2)14(10,12-7-3)13-8-4/h5H,6-8H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-1-ethoxyprop-1-ene?
1-diethoxyphosphoryl-1-ethoxyprop-1-ene has a molecular weight of 222.22 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-ethoxyprop-1-ene is sourced from PubChem (CID 71329081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).