[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium

C22H22O3P+ — CID 23119083

IUPAC[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
SMILESCOCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3P/c1-24-18-25-22(23)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1
InChIKeyKOBYSELIWJSQKG-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.13
Rot. Bonds7

About [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium

[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium (PubChem CID 23119083) has the molecular formula C22H22O3P+ and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
PubChem CID23119083
Molecular FormulaC22H22O3P+
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
SMILESCOCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3P/c1-24-18-25-22(23)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1
InChIKeyKOBYSELIWJSQKG-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-oxoethyl)-triphenylphosphanium tetrafluoroborate
CID 12548333
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
(2-oxo-2-phenoxyethyl)-triphenylphosphanium tetrafluoroborate
CID 10600883
3-[(2-methoxy-2-oxoethyl)-diphenylphosphaniumyl]benzenesulfonate
CID 25137222
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
CID 53396364
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
2-oxopentyl(triphenyl)phosphanium
CID 20542903
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium (CID 23119083) is [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium is COCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium?
The InChIKey is KOBYSELIWJSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3P/c1-24-18-25-22(23)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/q+1.
What are the key properties of [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium?
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium has a molecular weight of 365.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 23119083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).