oxolane;tetrabutylazanium

C24H52NO2+ — CID 159740735

IUPACoxolane;tetrabutylazanium
SMILESC1CCOC1.C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.2C4H8O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2-4-5-3-1/h5-16H2,1-4H3;2*1-4H2/q+1;;
InChIKeyNCKPTESMUGGRRQ-UHFFFAOYSA-N
MW386.69 g/mol
LogP6.60
Rot. Bonds12

About oxolane;tetrabutylazanium

oxolane;tetrabutylazanium (PubChem CID 159740735) has the molecular formula C24H52NO2+ and a molecular weight of 386.69 g/mol. Its IUPAC name is oxolane;tetrabutylazanium.

Molecular Properties

Compound Nameoxolane;tetrabutylazanium
PubChem CID159740735
Molecular FormulaC24H52NO2+
Molecular Weight386.69 g/mol
Exact Mass386.40
IUPAC Nameoxolane;tetrabutylazanium
SMILESC1CCOC1.C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.2C4H8O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2-4-5-3-1/h5-16H2,1-4H3;2*1-4H2/q+1;;
InChIKeyNCKPTESMUGGRRQ-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

morpholine;tetrabutylazanium
CID 174955494
dichloromethane;hexane;oxolane
CID 19387301
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
ethoxyethane;heptane;oxolane
CID 86588588
1-methoxypentane;oxolane
CID 160798368
tributyl(hexadecyl)azanium
CID 3083031
tetrabutylazanium;fluoride;dihydrate
CID 22343550
tributyl(triacontyl)azanium
CID 153322884
hydron;tetrabutylazanium;diiodide
CID 173281455

Frequently Asked Questions

What is the IUPAC name of oxolane;tetrabutylazanium?
The IUPAC name of oxolane;tetrabutylazanium (CID 159740735) is oxolane;tetrabutylazanium.
What is the SMILES notation for oxolane;tetrabutylazanium?
The canonical SMILES for oxolane;tetrabutylazanium is C1CCOC1.C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of oxolane;tetrabutylazanium?
The InChIKey is NCKPTESMUGGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.2C4H8O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2-4-5-3-1/h5-16H2,1-4H3;2*1-4H2/q+1;;.
What are the key properties of oxolane;tetrabutylazanium?
oxolane;tetrabutylazanium has a molecular weight of 386.69 g/mol, XLogP of 6.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tetrabutylazanium is sourced from PubChem (CID 159740735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).