ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid

C7H14O5P+ — CID 175582823

IUPACethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCO[P+](=O)OC
InChIInChI=1S/C4H6O2.C3H8O3P/c1-3(2)4(5)6;1-3-6-7(4)5-2/h1H2,2H3,(H,5,6);3H2,1-2H3/q;+1
InChIKeyTZKZQGZMBXMSJP-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.97
Rot. Bonds4

About ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid

ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid (PubChem CID 175582823) has the molecular formula C7H14O5P+ and a molecular weight of 209.16 g/mol. Its IUPAC name is ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
PubChem CID175582823
Molecular FormulaC7H14O5P+
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Nameethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCO[P+](=O)OC
InChIInChI=1S/C4H6O2.C3H8O3P/c1-3(2)4(5)6;1-3-6-7(4)5-2/h1H2,2H3,(H,5,6);3H2,1-2H3/q;+1
InChIKeyTZKZQGZMBXMSJP-UHFFFAOYSA-N
XLogP1.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
CID 173413432
CID 173413432
azane;ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 174841515
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
CID 157268042
CID 157268042
CID 158506606
CID 158506606
bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
CID 88807806
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428

Frequently Asked Questions

What is the IUPAC name of ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid?
The IUPAC name of ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid (CID 175582823) is ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid.
What is the SMILES notation for ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid?
The canonical SMILES for ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCO[P+](=O)OC.
What is the InChIKey of ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid?
The InChIKey is TZKZQGZMBXMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H8O3P/c1-3(2)4(5)6;1-3-6-7(4)5-2/h1H2,2H3,(H,5,6);3H2,1-2H3/q;+1.
What are the key properties of ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid?
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid has a molecular weight of 209.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid is sourced from PubChem (CID 175582823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).