bis(2-ethoxy-2-oxoethoxy)-oxophosphanium

C8H14O7P+ — CID 19009409

IUPACbis(2-ethoxy-2-oxoethoxy)-oxophosphanium
SMILESCCOC(=O)CO[P+](=O)OCC(=O)OCC
InChIInChI=1S/C8H14O7P/c1-3-12-7(9)5-14-16(11)15-6-8(10)13-4-2/h3-6H2,1-2H3/q+1
InChIKeyGFPNEOCJNJKMSK-UHFFFAOYSA-N
MW253.17 g/mol
LogP0.80
Rot. Bonds8

About bis(2-ethoxy-2-oxoethoxy)-oxophosphanium

bis(2-ethoxy-2-oxoethoxy)-oxophosphanium (PubChem CID 19009409) has the molecular formula C8H14O7P+ and a molecular weight of 253.17 g/mol. Its IUPAC name is bis(2-ethoxy-2-oxoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-ethoxy-2-oxoethoxy)-oxophosphanium
PubChem CID19009409
Molecular FormulaC8H14O7P+
Molecular Weight253.17 g/mol
Exact Mass253.05
IUPAC Namebis(2-ethoxy-2-oxoethoxy)-oxophosphanium
SMILESCCOC(=O)CO[P+](=O)OCC(=O)OCC
InChIInChI=1S/C8H14O7P/c1-3-12-7(9)5-14-16(11)15-6-8(10)13-4-2/h3-6H2,1-2H3/q+1
InChIKeyGFPNEOCJNJKMSK-UHFFFAOYSA-N
XLogP0.80
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
CID 87841333
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337
(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
CID 56980086
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 3-hydroxypropanoate
CID 160663371
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
benzene;ethyl 2-ethoxyacetate
CID 174867683
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
ethyl 2-(methylaminooxy)acetate
CID 15922728

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxy-2-oxoethoxy)-oxophosphanium?
The IUPAC name of bis(2-ethoxy-2-oxoethoxy)-oxophosphanium (CID 19009409) is bis(2-ethoxy-2-oxoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-ethoxy-2-oxoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-ethoxy-2-oxoethoxy)-oxophosphanium is CCOC(=O)CO[P+](=O)OCC(=O)OCC.
What is the InChIKey of bis(2-ethoxy-2-oxoethoxy)-oxophosphanium?
The InChIKey is GFPNEOCJNJKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7P/c1-3-12-7(9)5-14-16(11)15-6-8(10)13-4-2/h3-6H2,1-2H3/q+1.
What are the key properties of bis(2-ethoxy-2-oxoethoxy)-oxophosphanium?
bis(2-ethoxy-2-oxoethoxy)-oxophosphanium has a molecular weight of 253.17 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxy-2-oxoethoxy)-oxophosphanium is sourced from PubChem (CID 19009409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).