2,2-diethoxyethoxy(oxo)phosphanium

C6H14O4P+ — CID 172806023

IUPAC2,2-diethoxyethoxy(oxo)phosphanium
SMILESCCOC(CO[PH+]=O)OCC
InChIInChI=1S/C6H14O4P/c1-3-8-6(9-4-2)5-10-11-7/h6,11H,3-5H2,1-2H3/q+1
InChIKeyYTYRXFDFUBLNAX-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.34
Rot. Bonds7

About 2,2-diethoxyethoxy(oxo)phosphanium

2,2-diethoxyethoxy(oxo)phosphanium (PubChem CID 172806023) has the molecular formula C6H14O4P+ and a molecular weight of 181.15 g/mol. Its IUPAC name is 2,2-diethoxyethoxy(oxo)phosphanium.

Molecular Properties

Compound Name2,2-diethoxyethoxy(oxo)phosphanium
PubChem CID172806023
Molecular FormulaC6H14O4P+
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name2,2-diethoxyethoxy(oxo)phosphanium
SMILESCCOC(CO[PH+]=O)OCC
InChIInChI=1S/C6H14O4P/c1-3-8-6(9-4-2)5-10-11-7/h6,11H,3-5H2,1-2H3/q+1
InChIKeyYTYRXFDFUBLNAX-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 57451317
CID 57451317
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
2-(2,2-diethoxyethoxy)acetaldehyde
CID 15582210
bis(2,2-diethoxyethyl) pentanedioate
CID 88692204
2-ethylhexoxy(oxo)phosphanium;iron(3+)
CID 158223582
2-[bis(2,2-diethoxyethyl)phosphoryl]-1,1-diethoxyethane
CID 14740209
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486
1-bromo-4-(2,2-diethoxyethoxy)-2-methylbenzene
CID 83141135
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609
2-[2-(2-aminoethoxy)-2-ethoxyethoxy]ethanamine
CID 175367490

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethoxy(oxo)phosphanium?
The IUPAC name of 2,2-diethoxyethoxy(oxo)phosphanium (CID 172806023) is 2,2-diethoxyethoxy(oxo)phosphanium.
What is the SMILES notation for 2,2-diethoxyethoxy(oxo)phosphanium?
The canonical SMILES for 2,2-diethoxyethoxy(oxo)phosphanium is CCOC(CO[PH+]=O)OCC.
What is the InChIKey of 2,2-diethoxyethoxy(oxo)phosphanium?
The InChIKey is YTYRXFDFUBLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4P/c1-3-8-6(9-4-2)5-10-11-7/h6,11H,3-5H2,1-2H3/q+1.
What are the key properties of 2,2-diethoxyethoxy(oxo)phosphanium?
2,2-diethoxyethoxy(oxo)phosphanium has a molecular weight of 181.15 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethoxy(oxo)phosphanium is sourced from PubChem (CID 172806023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).