ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium

C8H12O6P+ — CID 130464050

IUPACethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium
SMILESC=CC(=O)OC(C(=O)OC)[P+](=O)OCC
InChIInChI=1S/C8H12O6P/c1-4-6(9)14-8(7(10)12-3)15(11)13-5-2/h4,8H,1,5H2,2-3H3/q+1
InChIKeyWVWRBPKDHKWTFS-UHFFFAOYSA-N
MW235.15 g/mol
LogP0.99
Rot. Bonds6

About ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium

ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium (PubChem CID 130464050) has the molecular formula C8H12O6P+ and a molecular weight of 235.15 g/mol. Its IUPAC name is ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium.

Molecular Properties

Compound Nameethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium
PubChem CID130464050
Molecular FormulaC8H12O6P+
Molecular Weight235.15 g/mol
Exact Mass235.04
IUPAC Nameethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium
SMILESC=CC(=O)OC(C(=O)OC)[P+](=O)OCC
InChIInChI=1S/C8H12O6P/c1-4-6(9)14-8(7(10)12-3)15(11)13-5-2/h4,8H,1,5H2,2-3H3/q+1
InChIKeyWVWRBPKDHKWTFS-UHFFFAOYSA-N
XLogP0.99
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

bis(methyl prop-2-enoate);propane
CID 160610529
[ethoxy(methoxy)methyl] prop-2-enoate
CID 87919387
potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate
CID 141499219
(1-chloro-2-ethoxyethyl) prop-2-enoate
CID 174760133
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
CID 158506606
CID 158506606
1-(carbamoylamino)propyl prop-2-enoate
CID 87391559

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium?
The IUPAC name of ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium (CID 130464050) is ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium.
What is the SMILES notation for ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium?
The canonical SMILES for ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium is C=CC(=O)OC(C(=O)OC)[P+](=O)OCC.
What is the InChIKey of ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium?
The InChIKey is WVWRBPKDHKWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6P/c1-4-6(9)14-8(7(10)12-3)15(11)13-5-2/h4,8H,1,5H2,2-3H3/q+1.
What are the key properties of ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium?
ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium has a molecular weight of 235.15 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium is sourced from PubChem (CID 130464050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).