1-diethoxyphosphoryl-1-ethoxyethene

C8H17O4P — CID 2784304

IUPAC1-diethoxyphosphoryl-1-ethoxyethene
SMILESC=C(OCC)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-5-10-8(4)13(9,11-6-2)12-7-3/h4-7H2,1-3H3
InChIKeyLECLFOGZBUVSBO-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.76
Rot. Bonds7

About 1-diethoxyphosphoryl-1-ethoxyethene

1-diethoxyphosphoryl-1-ethoxyethene (PubChem CID 2784304) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-ethoxyethene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-ethoxyethene
PubChem CID2784304
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-diethoxyphosphoryl-1-ethoxyethene
SMILESC=C(OCC)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-5-10-8(4)13(9,11-6-2)12-7-3/h4-7H2,1-3H3
InChIKeyLECLFOGZBUVSBO-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.76
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-ethoxyethene?
The IUPAC name of 1-diethoxyphosphoryl-1-ethoxyethene (CID 2784304) is 1-diethoxyphosphoryl-1-ethoxyethene.
What is the SMILES notation for 1-diethoxyphosphoryl-1-ethoxyethene?
The canonical SMILES for 1-diethoxyphosphoryl-1-ethoxyethene is C=C(OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-ethoxyethene?
The InChIKey is LECLFOGZBUVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-5-10-8(4)13(9,11-6-2)12-7-3/h4-7H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-ethoxyethene?
1-diethoxyphosphoryl-1-ethoxyethene has a molecular weight of 208.19 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-ethoxyethene is sourced from PubChem (CID 2784304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).