propanoate;tetrabutylazanium

C19H41NO2 — CID 15847735

IUPACpropanoate;tetrabutylazanium
SMILESCCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C3H6O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyAOLHFTSRLXHBNU-UHFFFAOYSA-M
MW315.54 g/mol
LogP4.15
Rot. Bonds13

About propanoate;tetrabutylazanium

propanoate;tetrabutylazanium (PubChem CID 15847735) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is propanoate;tetrabutylazanium.

Molecular Properties

Compound Namepropanoate;tetrabutylazanium
PubChem CID15847735
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Namepropanoate;tetrabutylazanium
SMILESCCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C3H6O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyAOLHFTSRLXHBNU-UHFFFAOYSA-M
XLogP4.15
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of propanoate;tetrabutylazanium?
The IUPAC name of propanoate;tetrabutylazanium (CID 15847735) is propanoate;tetrabutylazanium.
What is the SMILES notation for propanoate;tetrabutylazanium?
The canonical SMILES for propanoate;tetrabutylazanium is CCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of propanoate;tetrabutylazanium?
The InChIKey is AOLHFTSRLXHBNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C3H6O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of propanoate;tetrabutylazanium?
propanoate;tetrabutylazanium has a molecular weight of 315.54 g/mol, XLogP of 4.15, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;tetrabutylazanium is sourced from PubChem (CID 15847735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).