diethyloxidanium;ethoxyethane;tetrafluoroborate

C8H21BF4O2 — CID 11020861

IUPACdiethyloxidanium;ethoxyethane;tetrafluoroborate
SMILESCCOCC.CC[OH+]CC.F[B-](F)(F)F
InChIInChI=1S/2C4H10O.BF4/c2*1-3-5-4-2;2-1(3,4)5/h2*3-4H2,1-2H3;/q;;-1/p+1
InChIKeyUORUNVPBWPIKHQ-UHFFFAOYSA-O
MW236.06 g/mol
LogP2.90
Rot. Bonds4

About diethyloxidanium;ethoxyethane;tetrafluoroborate

diethyloxidanium;ethoxyethane;tetrafluoroborate (PubChem CID 11020861) has the molecular formula C8H21BF4O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is diethyloxidanium;ethoxyethane;tetrafluoroborate.

Molecular Properties

Compound Namediethyloxidanium;ethoxyethane;tetrafluoroborate
PubChem CID11020861
Molecular FormulaC8H21BF4O2
Molecular Weight236.06 g/mol
Exact Mass236.16
IUPAC Namediethyloxidanium;ethoxyethane;tetrafluoroborate
SMILESCCOCC.CC[OH+]CC.F[B-](F)(F)F
InChIInChI=1S/2C4H10O.BF4/c2*1-3-5-4-2;2-1(3,4)5/h2*3-4H2,1-2H3;/q;;-1/p+1
InChIKeyUORUNVPBWPIKHQ-UHFFFAOYSA-O
XLogP2.90
TPSA22.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyloxidanium;ethoxyethane;tetrafluoroborate?
The IUPAC name of diethyloxidanium;ethoxyethane;tetrafluoroborate (CID 11020861) is diethyloxidanium;ethoxyethane;tetrafluoroborate.
What is the SMILES notation for diethyloxidanium;ethoxyethane;tetrafluoroborate?
The canonical SMILES for diethyloxidanium;ethoxyethane;tetrafluoroborate is CCOCC.CC[OH+]CC.F[B-](F)(F)F.
What is the InChIKey of diethyloxidanium;ethoxyethane;tetrafluoroborate?
The InChIKey is UORUNVPBWPIKHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H10O.BF4/c2*1-3-5-4-2;2-1(3,4)5/h2*3-4H2,1-2H3;/q;;-1/p+1.
What are the key properties of diethyloxidanium;ethoxyethane;tetrafluoroborate?
diethyloxidanium;ethoxyethane;tetrafluoroborate has a molecular weight of 236.06 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyloxidanium;ethoxyethane;tetrafluoroborate is sourced from PubChem (CID 11020861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).