4-diethoxyphosphoryl-4-iodobut-1-ene

C8H16IO3P — CID 54291083

IUPAC4-diethoxyphosphoryl-4-iodobut-1-ene
SMILESC=CCC(I)P(=O)(OCC)OCC
InChIInChI=1S/C8H16IO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyRXOFXYNISQNILF-UHFFFAOYSA-N
MW318.09 g/mol
LogP3.59
Rot. Bonds7

About 4-diethoxyphosphoryl-4-iodobut-1-ene

4-diethoxyphosphoryl-4-iodobut-1-ene (PubChem CID 54291083) has the molecular formula C8H16IO3P and a molecular weight of 318.09 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4-iodobut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4-iodobut-1-ene
PubChem CID54291083
Molecular FormulaC8H16IO3P
Molecular Weight318.09 g/mol
Exact Mass317.99
IUPAC Name4-diethoxyphosphoryl-4-iodobut-1-ene
SMILESC=CCC(I)P(=O)(OCC)OCC
InChIInChI=1S/C8H16IO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyRXOFXYNISQNILF-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
4,4-Bis(diethoxyphosphoryl)but-1-ene
CID 11067413
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
1-Diethoxyphosphorylbut-1-ene
CID 23280731
Ethyl vinylethylphosphinate
CID 57055888
Ethyl ethylvinylphosphinate
CID 129687000

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-4-iodobut-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-4-iodobut-1-ene (CID 54291083) is 4-diethoxyphosphoryl-4-iodobut-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-4-iodobut-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-4-iodobut-1-ene is C=CCC(I)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-4-iodobut-1-ene?
The InChIKey is RXOFXYNISQNILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-diethoxyphosphoryl-4-iodobut-1-ene?
4-diethoxyphosphoryl-4-iodobut-1-ene has a molecular weight of 318.09 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4-iodobut-1-ene is sourced from PubChem (CID 54291083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).