(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium

C8H16O5P+ — CID 56980086

IUPAC(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)OCCC(=O)OCC
InChIInChI=1S/C8H16O5P/c1-3-6-12-14(10)13-7-5-8(9)11-4-2/h3-7H2,1-2H3/q+1
InChIKeyYZWSYORHMBWTFL-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.04
Rot. Bonds8

About (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium

(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium (PubChem CID 56980086) has the molecular formula C8H16O5P+ and a molecular weight of 223.18 g/mol. Its IUPAC name is (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium.

Molecular Properties

Compound Name(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
PubChem CID56980086
Molecular FormulaC8H16O5P+
Molecular Weight223.18 g/mol
Exact Mass223.07
IUPAC Name(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)OCCC(=O)OCC
InChIInChI=1S/C8H16O5P/c1-3-6-12-14(10)13-7-5-8(9)11-4-2/h3-7H2,1-2H3/q+1
InChIKeyYZWSYORHMBWTFL-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
ethyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;ethyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methane
CID 161148650
bis(2-ethoxy-2-oxoethoxy)-oxophosphanium
CID 19009409
ethyl 3-carbamoyloxypropanoate
CID 175485814
methane;propyl butanoate
CID 157187060
CID 136749907
CID 136749907
CID 88807470
CID 88807470
diethyl hexanedioate
CID 160747628
butane-2,3-dione;ethyl butanoate
CID 158568600

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium?
The IUPAC name of (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium (CID 56980086) is (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium.
What is the SMILES notation for (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium?
The canonical SMILES for (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium is CCCO[P+](=O)OCCC(=O)OCC.
What is the InChIKey of (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium?
The InChIKey is YZWSYORHMBWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5P/c1-3-6-12-14(10)13-7-5-8(9)11-4-2/h3-7H2,1-2H3/q+1.
What are the key properties of (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium?
(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium has a molecular weight of 223.18 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium is sourced from PubChem (CID 56980086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).