2-diethoxyphosphorylprop-2-en-1-olate

C7H14O4P- — CID 134857550

IUPAC2-diethoxyphosphorylprop-2-en-1-olate
SMILESC=C(C[O-])P(=O)(OCC)OCC
InChIInChI=1S/C7H14O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3/q-1
InChIKeyHPSSSEUCVZPFBW-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.13
Rot. Bonds6

About 2-diethoxyphosphorylprop-2-en-1-olate

2-diethoxyphosphorylprop-2-en-1-olate (PubChem CID 134857550) has the molecular formula C7H14O4P- and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-diethoxyphosphorylprop-2-en-1-olate.

Molecular Properties

Compound Name2-diethoxyphosphorylprop-2-en-1-olate
PubChem CID134857550
Molecular FormulaC7H14O4P-
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name2-diethoxyphosphorylprop-2-en-1-olate
SMILESC=C(C[O-])P(=O)(OCC)OCC
InChIInChI=1S/C7H14O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3/q-1
InChIKeyHPSSSEUCVZPFBW-UHFFFAOYSA-N
XLogP1.13
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl isopropenyl phosphate
CID 319403
Diethyl isopropenylphosphonate
CID 88390
Diethyl 2-propen-1-yl phosphate
CID 229774
Diethyl propadienylphosphonate
CID 12716821
Dimethyl 1-methylvinylphosphonate
CID 556478
Phosphoric acid, dimethyl 2-propenyl ester
CID 573628
Dimethyl Isopropenyl Phosphate
CID 581450
Ethyl isopropenyl ethylphosphonate
CID 129807723
Phosphonic acid, methyl-, di-2-propenyl ester
CID 11309824
Bis(2-fluoroprop-2-enyl) methyl phosphate
CID 156088416
Diprop-2-en-1-yl prop-1-en-2-ylphosphonate
CID 239508
2-[Ethoxy(methoxy)phosphoryl]prop-1-ene
CID 142703298

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylprop-2-en-1-olate?
The IUPAC name of 2-diethoxyphosphorylprop-2-en-1-olate (CID 134857550) is 2-diethoxyphosphorylprop-2-en-1-olate.
What is the SMILES notation for 2-diethoxyphosphorylprop-2-en-1-olate?
The canonical SMILES for 2-diethoxyphosphorylprop-2-en-1-olate is C=C(C[O-])P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylprop-2-en-1-olate?
The InChIKey is HPSSSEUCVZPFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h3-6H2,1-2H3/q-1.
What are the key properties of 2-diethoxyphosphorylprop-2-en-1-olate?
2-diethoxyphosphorylprop-2-en-1-olate has a molecular weight of 193.16 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylprop-2-en-1-olate is sourced from PubChem (CID 134857550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).