sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide

C17H40BrNNaO3+ — CID 173184972

IUPACsodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C16H36N.CH2O3.BrH.Na.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4;;;/h5-16H2,1-4H3;(H2,2,3,4);1H;;/q+1;;;+1;-1
InChIKeyMWDSYBDPEZBONU-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.92
Rot. Bonds12

About sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide

sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide (PubChem CID 173184972) has the molecular formula C17H40BrNNaO3+ and a molecular weight of 409.41 g/mol. Its IUPAC name is sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide.

Molecular Properties

Compound Namesodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide
PubChem CID173184972
Molecular FormulaC17H40BrNNaO3+
Molecular Weight409.41 g/mol
Exact Mass408.21
IUPAC Namesodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C16H36N.CH2O3.BrH.Na.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4;;;/h5-16H2,1-4H3;(H2,2,3,4);1H;;/q+1;;;+1;-1
InChIKeyMWDSYBDPEZBONU-UHFFFAOYSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
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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CID 173367789
tetrabutylazanium;urea;bromide
CID 158111645
2,3-dihydroxybutanedioic acid;tetrabutylazanium
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Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide?
The IUPAC name of sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide (CID 173184972) is sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide.
What is the SMILES notation for sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide?
The canonical SMILES for sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide is Br.CCCC[N+](CCCC)(CCCC)CCCC.O=C(O)O.[H-].[Na+].
What is the InChIKey of sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide?
The InChIKey is MWDSYBDPEZBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.CH2O3.BrH.Na.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4;;;/h5-16H2,1-4H3;(H2,2,3,4);1H;;/q+1;;;+1;-1.
What are the key properties of sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide?
sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide has a molecular weight of 409.41 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;hydride;tetrabutylazanium;hydrobromide is sourced from PubChem (CID 173184972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).