ethanolate;tetrabutylazanium

C18H41NO — CID 14417848

IUPACethanolate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CC[O-]
InChIInChI=1S/C16H36N.C2H5O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3/h5-16H2,1-4H3;2H2,1H3/q+1;-1
InChIKeySNUBRLWUQHFANK-UHFFFAOYSA-N
MW287.53 g/mol
LogP4.37
Rot. Bonds12

About ethanolate;tetrabutylazanium

ethanolate;tetrabutylazanium (PubChem CID 14417848) has the molecular formula C18H41NO and a molecular weight of 287.53 g/mol. Its IUPAC name is ethanolate;tetrabutylazanium.

Molecular Properties

Compound Nameethanolate;tetrabutylazanium
PubChem CID14417848
Molecular FormulaC18H41NO
Molecular Weight287.53 g/mol
Exact Mass287.32
IUPAC Nameethanolate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CC[O-]
InChIInChI=1S/C16H36N.C2H5O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3/h5-16H2,1-4H3;2H2,1H3/q+1;-1
InChIKeySNUBRLWUQHFANK-UHFFFAOYSA-N
XLogP4.37
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.53
LogP ≤ 54.37
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 ethanolate;tetrabutylazanium?
The IUPAC name of ethanolate;tetrabutylazanium (CID 14417848) is ethanolate;tetrabutylazanium.
What is the SMILES notation for ethanolate;tetrabutylazanium?
The canonical SMILES for ethanolate;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.CC[O-].
What is the InChIKey of ethanolate;tetrabutylazanium?
The InChIKey is SNUBRLWUQHFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C2H5O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3/h5-16H2,1-4H3;2H2,1H3/q+1;-1.
What are the key properties of ethanolate;tetrabutylazanium?
ethanolate;tetrabutylazanium has a molecular weight of 287.53 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;tetrabutylazanium is sourced from PubChem (CID 14417848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).