(Z)-1-bromo-2-diethoxyphosphorylethene

C6H12BrO3P — CID 134996496

IUPAC(Z)-1-bromo-2-diethoxyphosphorylethene
SMILESCCOP(=O)(/C=C\Br)OCC
InChIInChI=1S/C6H12BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyJLSBKFFNLILDAF-WAYWQWQTSA-N
MW243.04 g/mol
LogP3.12
Rot. Bonds5

About (Z)-1-bromo-2-diethoxyphosphorylethene

(Z)-1-bromo-2-diethoxyphosphorylethene (PubChem CID 134996496) has the molecular formula C6H12BrO3P and a molecular weight of 243.04 g/mol. Its IUPAC name is (Z)-1-bromo-2-diethoxyphosphorylethene.

Molecular Properties

Compound Name(Z)-1-bromo-2-diethoxyphosphorylethene
PubChem CID134996496
Molecular FormulaC6H12BrO3P
Molecular Weight243.04 g/mol
Exact Mass241.97
IUPAC Name(Z)-1-bromo-2-diethoxyphosphorylethene
SMILESCCOP(=O)(/C=C\Br)OCC
InChIInChI=1S/C6H12BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyJLSBKFFNLILDAF-WAYWQWQTSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 53.12
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 (Z)-1-bromo-2-diethoxyphosphorylethene?
The IUPAC name of (Z)-1-bromo-2-diethoxyphosphorylethene (CID 134996496) is (Z)-1-bromo-2-diethoxyphosphorylethene.
What is the SMILES notation for (Z)-1-bromo-2-diethoxyphosphorylethene?
The canonical SMILES for (Z)-1-bromo-2-diethoxyphosphorylethene is CCOP(=O)(/C=C\Br)OCC.
What is the InChIKey of (Z)-1-bromo-2-diethoxyphosphorylethene?
The InChIKey is JLSBKFFNLILDAF-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-1-bromo-2-diethoxyphosphorylethene?
(Z)-1-bromo-2-diethoxyphosphorylethene has a molecular weight of 243.04 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-2-diethoxyphosphorylethene is sourced from PubChem (CID 134996496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).