ethoxy(prop-2-enyl)phosphinate

C5H10O3P- — CID 71365133

IUPACethoxy(prop-2-enyl)phosphinate
SMILESC=CCP(=O)([O-])OCC
InChIInChI=1S/C5H11O3P/c1-3-5-9(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7)/p-1
InChIKeyYSAUVMKIAXDWNL-UHFFFAOYSA-M
MW149.11 g/mol
LogP0.76
Rot. Bonds4

About ethoxy(prop-2-enyl)phosphinate

ethoxy(prop-2-enyl)phosphinate (PubChem CID 71365133) has the molecular formula C5H10O3P- and a molecular weight of 149.11 g/mol. Its IUPAC name is ethoxy(prop-2-enyl)phosphinate.

Molecular Properties

Compound Nameethoxy(prop-2-enyl)phosphinate
PubChem CID71365133
Molecular FormulaC5H10O3P-
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Nameethoxy(prop-2-enyl)phosphinate
SMILESC=CCP(=O)([O-])OCC
InChIInChI=1S/C5H11O3P/c1-3-5-9(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7)/p-1
InChIKeyYSAUVMKIAXDWNL-UHFFFAOYSA-M
XLogP0.76
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.76
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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Related Compounds

3-diethoxyphosphorylprop-1-ene
CID 573014
ethoxy(undec-10-enyl)phosphinate
CID 71356470
3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate
CID 118091855
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
disodium bis(diethyl phosphate)
CID 57370561
barium(2+);ethyl phosphate
CID 12691393
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
copper bis(diethyl phosphate)
CID 23448356
sodium 2-cyanoethyl(ethoxy)phosphinate
CID 110190928
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
disodium carboxymethyl(ethoxy)phosphinate
CID 158502512

Frequently Asked Questions

What is the IUPAC name of ethoxy(prop-2-enyl)phosphinate?
The IUPAC name of ethoxy(prop-2-enyl)phosphinate (CID 71365133) is ethoxy(prop-2-enyl)phosphinate.
What is the SMILES notation for ethoxy(prop-2-enyl)phosphinate?
The canonical SMILES for ethoxy(prop-2-enyl)phosphinate is C=CCP(=O)([O-])OCC.
What is the InChIKey of ethoxy(prop-2-enyl)phosphinate?
The InChIKey is YSAUVMKIAXDWNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O3P/c1-3-5-9(6,7)8-4-2/h3H,1,4-5H2,2H3,(H,6,7)/p-1.
What are the key properties of ethoxy(prop-2-enyl)phosphinate?
ethoxy(prop-2-enyl)phosphinate has a molecular weight of 149.11 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(prop-2-enyl)phosphinate is sourced from PubChem (CID 71365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).