oxolane;tetrabutylazanium;fluoride

C20H44FNO — CID 11078149

IUPACoxolane;tetrabutylazanium;fluoride
SMILESC1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]
InChIInChI=1S/C16H36N.C4H8O.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h5-16H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyYWWARDMVSMPOLR-UHFFFAOYSA-M
MW333.58 g/mol
LogP2.80
Rot. Bonds12

About oxolane;tetrabutylazanium;fluoride

oxolane;tetrabutylazanium;fluoride (PubChem CID 11078149) has the molecular formula C20H44FNO and a molecular weight of 333.58 g/mol. Its IUPAC name is oxolane;tetrabutylazanium;fluoride.

Molecular Properties

Compound Nameoxolane;tetrabutylazanium;fluoride
PubChem CID11078149
Molecular FormulaC20H44FNO
Molecular Weight333.58 g/mol
Exact Mass333.34
IUPAC Nameoxolane;tetrabutylazanium;fluoride
SMILESC1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]
InChIInChI=1S/C16H36N.C4H8O.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h5-16H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyYWWARDMVSMPOLR-UHFFFAOYSA-M
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolane;tetrabutylazanium;fluoride?
The IUPAC name of oxolane;tetrabutylazanium;fluoride (CID 11078149) is oxolane;tetrabutylazanium;fluoride.
What is the SMILES notation for oxolane;tetrabutylazanium;fluoride?
The canonical SMILES for oxolane;tetrabutylazanium;fluoride is C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-].
What is the InChIKey of oxolane;tetrabutylazanium;fluoride?
The InChIKey is YWWARDMVSMPOLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C4H8O.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;/h5-16H2,1-4H3;1-4H2;1H/q+1;;/p-1.
What are the key properties of oxolane;tetrabutylazanium;fluoride?
oxolane;tetrabutylazanium;fluoride has a molecular weight of 333.58 g/mol, XLogP of 2.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tetrabutylazanium;fluoride is sourced from PubChem (CID 11078149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).