(E)-1,2-dichloro-1-diethoxyphosphorylethene

C6H11Cl2O3P — CID 12525126

IUPAC(E)-1,2-dichloro-1-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)/C(Cl)=C\Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5-
InChIKeyVSCDEQKJARUAMJ-WAYWQWQTSA-N
MW233.03 g/mol
LogP3.53
Rot. Bonds5

About (E)-1,2-dichloro-1-diethoxyphosphorylethene

(E)-1,2-dichloro-1-diethoxyphosphorylethene (PubChem CID 12525126) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is (E)-1,2-dichloro-1-diethoxyphosphorylethene.

Molecular Properties

Compound Name(E)-1,2-dichloro-1-diethoxyphosphorylethene
PubChem CID12525126
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Name(E)-1,2-dichloro-1-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)/C(Cl)=C\Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5-
InChIKeyVSCDEQKJARUAMJ-WAYWQWQTSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dichloro-1-diethoxyphosphorylethene?
The IUPAC name of (E)-1,2-dichloro-1-diethoxyphosphorylethene (CID 12525126) is (E)-1,2-dichloro-1-diethoxyphosphorylethene.
What is the SMILES notation for (E)-1,2-dichloro-1-diethoxyphosphorylethene?
The canonical SMILES for (E)-1,2-dichloro-1-diethoxyphosphorylethene is CCOP(=O)(OCC)/C(Cl)=C\Cl.
What is the InChIKey of (E)-1,2-dichloro-1-diethoxyphosphorylethene?
The InChIKey is VSCDEQKJARUAMJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11Cl2O3P/c1-3-10-12(9,11-4-2)6(8)5-7/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of (E)-1,2-dichloro-1-diethoxyphosphorylethene?
(E)-1,2-dichloro-1-diethoxyphosphorylethene has a molecular weight of 233.03 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichloro-1-diethoxyphosphorylethene is sourced from PubChem (CID 12525126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).