(E)-1-bromo-3-diethoxyphosphorylprop-1-ene

C7H14BrO3P — CID 10868933

IUPAC(E)-1-bromo-3-diethoxyphosphorylprop-1-ene
SMILESCCOP(=O)(C/C=C/Br)OCC
InChIInChI=1S/C7H14BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyOVABDAYPBKLTNH-AATRIKPKSA-N
MW257.06 g/mol
LogP3.16
Rot. Bonds6

About (E)-1-bromo-3-diethoxyphosphorylprop-1-ene

(E)-1-bromo-3-diethoxyphosphorylprop-1-ene (PubChem CID 10868933) has the molecular formula C7H14BrO3P and a molecular weight of 257.06 g/mol. Its IUPAC name is (E)-1-bromo-3-diethoxyphosphorylprop-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-3-diethoxyphosphorylprop-1-ene
PubChem CID10868933
Molecular FormulaC7H14BrO3P
Molecular Weight257.06 g/mol
Exact Mass255.99
IUPAC Name(E)-1-bromo-3-diethoxyphosphorylprop-1-ene
SMILESCCOP(=O)(C/C=C/Br)OCC
InChIInChI=1S/C7H14BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyOVABDAYPBKLTNH-AATRIKPKSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 53.16
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-3-diethoxyphosphorylprop-1-ene?
The IUPAC name of (E)-1-bromo-3-diethoxyphosphorylprop-1-ene (CID 10868933) is (E)-1-bromo-3-diethoxyphosphorylprop-1-ene.
What is the SMILES notation for (E)-1-bromo-3-diethoxyphosphorylprop-1-ene?
The canonical SMILES for (E)-1-bromo-3-diethoxyphosphorylprop-1-ene is CCOP(=O)(C/C=C/Br)OCC.
What is the InChIKey of (E)-1-bromo-3-diethoxyphosphorylprop-1-ene?
The InChIKey is OVABDAYPBKLTNH-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5-6H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of (E)-1-bromo-3-diethoxyphosphorylprop-1-ene?
(E)-1-bromo-3-diethoxyphosphorylprop-1-ene has a molecular weight of 257.06 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-diethoxyphosphorylprop-1-ene is sourced from PubChem (CID 10868933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).