4-diethoxyphosphorylbut-1-ene

C8H17O3P — CID 10997850

IUPAC4-diethoxyphosphorylbut-1-ene
SMILESC=CCCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3
InChIKeyNUDGAPYPOAQVLP-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.83
Rot. Bonds7

About 4-diethoxyphosphorylbut-1-ene

4-diethoxyphosphorylbut-1-ene (PubChem CID 10997850) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-diethoxyphosphorylbut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphorylbut-1-ene
PubChem CID10997850
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name4-diethoxyphosphorylbut-1-ene
SMILESC=CCCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3
InChIKeyNUDGAPYPOAQVLP-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphorylbut-1-ene?
The IUPAC name of 4-diethoxyphosphorylbut-1-ene (CID 10997850) is 4-diethoxyphosphorylbut-1-ene.
What is the SMILES notation for 4-diethoxyphosphorylbut-1-ene?
The canonical SMILES for 4-diethoxyphosphorylbut-1-ene is C=CCCP(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphorylbut-1-ene?
The InChIKey is NUDGAPYPOAQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 4-diethoxyphosphorylbut-1-ene?
4-diethoxyphosphorylbut-1-ene has a molecular weight of 192.19 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphorylbut-1-ene is sourced from PubChem (CID 10997850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).