(Z)-1-diethoxyphosphorylbut-2-ene

C8H17O3P — CID 12602233

IUPAC(Z)-1-diethoxyphosphorylbut-2-ene
SMILESC/C=C\CP(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3/b7-4-
InChIKeyKGWLPYVMUWAOJC-DAXSKMNVSA-N
MW192.19 g/mol
LogP2.83
Rot. Bonds6

About (Z)-1-diethoxyphosphorylbut-2-ene

(Z)-1-diethoxyphosphorylbut-2-ene (PubChem CID 12602233) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphorylbut-2-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphorylbut-2-ene
PubChem CID12602233
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name(Z)-1-diethoxyphosphorylbut-2-ene
SMILESC/C=C\CP(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3/b7-4-
InChIKeyKGWLPYVMUWAOJC-DAXSKMNVSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze (Z)-1-diethoxyphosphorylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphorylbut-2-ene?
The IUPAC name of (Z)-1-diethoxyphosphorylbut-2-ene (CID 12602233) is (Z)-1-diethoxyphosphorylbut-2-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphorylbut-2-ene?
The canonical SMILES for (Z)-1-diethoxyphosphorylbut-2-ene is C/C=C\CP(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphorylbut-2-ene?
The InChIKey is KGWLPYVMUWAOJC-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3/b7-4-.
What are the key properties of (Z)-1-diethoxyphosphorylbut-2-ene?
(Z)-1-diethoxyphosphorylbut-2-ene has a molecular weight of 192.19 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphorylbut-2-ene is sourced from PubChem (CID 12602233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).