2-diethoxyphosphoryl-1-ethoxyethenol

C8H17O5P — CID 15972171

IUPAC2-diethoxyphosphoryl-1-ethoxyethenol
SMILESCCOC(O)=CP(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3
InChIKeyIAPSMNYIICNXEU-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.65
Rot. Bonds7

About 2-diethoxyphosphoryl-1-ethoxyethenol

2-diethoxyphosphoryl-1-ethoxyethenol (PubChem CID 15972171) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-ethoxyethenol.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-ethoxyethenol
PubChem CID15972171
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name2-diethoxyphosphoryl-1-ethoxyethenol
SMILESCCOC(O)=CP(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3
InChIKeyIAPSMNYIICNXEU-UHFFFAOYSA-N
XLogP2.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-4-diethoxyphosphoryl-1-ethoxybuta-1,3-diene-1,3-diol
CID 134871026
(E)-2-diethoxyphosphoryl-1-hexoxyethenol
CID 46944644
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
ethyl (E)-2-cyano-3-diethoxyphosphorylprop-2-enoate
CID 5383980
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
CID 71394158
(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile
CID 23419742
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
(Z)-1-diethoxyphosphoryl-2,3-dimethyl-3-nitrobut-1-ene
CID 23421847

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-ethoxyethenol?
The IUPAC name of 2-diethoxyphosphoryl-1-ethoxyethenol (CID 15972171) is 2-diethoxyphosphoryl-1-ethoxyethenol.
What is the SMILES notation for 2-diethoxyphosphoryl-1-ethoxyethenol?
The canonical SMILES for 2-diethoxyphosphoryl-1-ethoxyethenol is CCOC(O)=CP(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-ethoxyethenol?
The InChIKey is IAPSMNYIICNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-1-ethoxyethenol?
2-diethoxyphosphoryl-1-ethoxyethenol has a molecular weight of 224.19 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-ethoxyethenol is sourced from PubChem (CID 15972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).