ethanol;tetrabutylazanium;chloride

C18H42ClNO — CID 175552872

IUPACethanol;tetrabutylazanium;chloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCO.[Cl-]
InChIInChI=1S/C16H36N.C2H6O.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3;/h5-16H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyMNNIVJFZOYBXJT-UHFFFAOYSA-M
MW323.99 g/mol
LogP2.01
Rot. Bonds12

About ethanol;tetrabutylazanium;chloride

ethanol;tetrabutylazanium;chloride (PubChem CID 175552872) has the molecular formula C18H42ClNO and a molecular weight of 323.99 g/mol. Its IUPAC name is ethanol;tetrabutylazanium;chloride.

Molecular Properties

Compound Nameethanol;tetrabutylazanium;chloride
PubChem CID175552872
Molecular FormulaC18H42ClNO
Molecular Weight323.99 g/mol
Exact Mass323.30
IUPAC Nameethanol;tetrabutylazanium;chloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCO.[Cl-]
InChIInChI=1S/C16H36N.C2H6O.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3;/h5-16H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyMNNIVJFZOYBXJT-UHFFFAOYSA-M
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
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butyl(tripentyl)azanium
CID 14022644
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CID 59817115

Frequently Asked Questions

What is the IUPAC name of ethanol;tetrabutylazanium;chloride?
The IUPAC name of ethanol;tetrabutylazanium;chloride (CID 175552872) is ethanol;tetrabutylazanium;chloride.
What is the SMILES notation for ethanol;tetrabutylazanium;chloride?
The canonical SMILES for ethanol;tetrabutylazanium;chloride is CCCC[N+](CCCC)(CCCC)CCCC.CCO.[Cl-].
What is the InChIKey of ethanol;tetrabutylazanium;chloride?
The InChIKey is MNNIVJFZOYBXJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C2H6O.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3;/h5-16H2,1-4H3;3H,2H2,1H3;1H/q+1;;/p-1.
What are the key properties of ethanol;tetrabutylazanium;chloride?
ethanol;tetrabutylazanium;chloride has a molecular weight of 323.99 g/mol, XLogP of 2.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tetrabutylazanium;chloride is sourced from PubChem (CID 175552872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).