(E)-1-bromo-1-diethoxyphosphorylprop-1-ene

C7H14BrO3P — CID 11334364

IUPAC(E)-1-bromo-1-diethoxyphosphorylprop-1-ene
SMILESC/C=C(/Br)P(=O)(OCC)OCC
InChIInChI=1S/C7H14BrO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyGOIJZKRCHXXJMO-DAXSKMNVSA-N
MW257.06 g/mol
LogP3.51
Rot. Bonds5

About (E)-1-bromo-1-diethoxyphosphorylprop-1-ene

(E)-1-bromo-1-diethoxyphosphorylprop-1-ene (PubChem CID 11334364) has the molecular formula C7H14BrO3P and a molecular weight of 257.06 g/mol. Its IUPAC name is (E)-1-bromo-1-diethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-1-diethoxyphosphorylprop-1-ene
PubChem CID11334364
Molecular FormulaC7H14BrO3P
Molecular Weight257.06 g/mol
Exact Mass255.99
IUPAC Name(E)-1-bromo-1-diethoxyphosphorylprop-1-ene
SMILESC/C=C(/Br)P(=O)(OCC)OCC
InChIInChI=1S/C7H14BrO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4-
InChIKeyGOIJZKRCHXXJMO-DAXSKMNVSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 53.51
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-bromo-1-diethoxyphosphorylprop-1-ene?
The IUPAC name of (E)-1-bromo-1-diethoxyphosphorylprop-1-ene (CID 11334364) is (E)-1-bromo-1-diethoxyphosphorylprop-1-ene.
What is the SMILES notation for (E)-1-bromo-1-diethoxyphosphorylprop-1-ene?
The canonical SMILES for (E)-1-bromo-1-diethoxyphosphorylprop-1-ene is C/C=C(/Br)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-bromo-1-diethoxyphosphorylprop-1-ene?
The InChIKey is GOIJZKRCHXXJMO-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14BrO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (E)-1-bromo-1-diethoxyphosphorylprop-1-ene?
(E)-1-bromo-1-diethoxyphosphorylprop-1-ene has a molecular weight of 257.06 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-1-diethoxyphosphorylprop-1-ene is sourced from PubChem (CID 11334364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).