(E)-2-diethoxyphosphorylbut-2-ene

C8H17O3P — CID 12586020

IUPAC(E)-2-diethoxyphosphorylbut-2-ene
SMILESC/C=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5+
InChIKeyPKSSLZZZVBFMPI-VMPITWQZSA-N
MW192.19 g/mol
LogP3.18
Rot. Bonds5

About (E)-2-diethoxyphosphorylbut-2-ene

(E)-2-diethoxyphosphorylbut-2-ene (PubChem CID 12586020) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is (E)-2-diethoxyphosphorylbut-2-ene.

Molecular Properties

Compound Name(E)-2-diethoxyphosphorylbut-2-ene
PubChem CID12586020
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name(E)-2-diethoxyphosphorylbut-2-ene
SMILESC/C=C(\C)P(=O)(OCC)OCC
InChIInChI=1S/C8H17O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5+
InChIKeyPKSSLZZZVBFMPI-VMPITWQZSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.18
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)-2-diethoxyphosphorylbut-2-ene?
The IUPAC name of (E)-2-diethoxyphosphorylbut-2-ene (CID 12586020) is (E)-2-diethoxyphosphorylbut-2-ene.
What is the SMILES notation for (E)-2-diethoxyphosphorylbut-2-ene?
The canonical SMILES for (E)-2-diethoxyphosphorylbut-2-ene is C/C=C(\C)P(=O)(OCC)OCC.
What is the InChIKey of (E)-2-diethoxyphosphorylbut-2-ene?
The InChIKey is PKSSLZZZVBFMPI-VMPITWQZSA-N. The full InChI is InChI=1S/C8H17O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-2-diethoxyphosphorylbut-2-ene?
(E)-2-diethoxyphosphorylbut-2-ene has a molecular weight of 192.19 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphorylbut-2-ene is sourced from PubChem (CID 12586020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).