cesium;hydride;tetrabutylazanium;hydrate

C16H39CsNO+ — CID 174975191

IUPACcesium;hydride;tetrabutylazanium;hydrate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O.[Cs+].[H-]
InChIInChI=1S/C16H36N.Cs.H2O.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;;1H2;/q2*+1;;-1
InChIKeyCRCUACIYHNATNX-UHFFFAOYSA-N
MW394.40 g/mol
LogP1.30
Rot. Bonds12

About cesium;hydride;tetrabutylazanium;hydrate

cesium;hydride;tetrabutylazanium;hydrate (PubChem CID 174975191) has the molecular formula C16H39CsNO+ and a molecular weight of 394.40 g/mol. Its IUPAC name is cesium;hydride;tetrabutylazanium;hydrate.

Molecular Properties

Compound Namecesium;hydride;tetrabutylazanium;hydrate
PubChem CID174975191
Molecular FormulaC16H39CsNO+
Molecular Weight394.40 g/mol
Exact Mass394.21
IUPAC Namecesium;hydride;tetrabutylazanium;hydrate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O.[Cs+].[H-]
InChIInChI=1S/C16H36N.Cs.H2O.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;;1H2;/q2*+1;;-1
InChIKeyCRCUACIYHNATNX-UHFFFAOYSA-N
XLogP1.30
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium;fluoride;dihydrate
CID 22343550
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
tributyl(triacontyl)azanium
CID 153322884
dibutyl(diheptyl)azanium
CID 87534229
hydron;tetrabutylazanium;diiodide
CID 173281455
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
tetrabutylazanium;chloride;hydrobromide
CID 160850218
potassium;tetrabutylazanium;diiodide
CID 144841578

Frequently Asked Questions

What is the IUPAC name of cesium;hydride;tetrabutylazanium;hydrate?
The IUPAC name of cesium;hydride;tetrabutylazanium;hydrate (CID 174975191) is cesium;hydride;tetrabutylazanium;hydrate.
What is the SMILES notation for cesium;hydride;tetrabutylazanium;hydrate?
The canonical SMILES for cesium;hydride;tetrabutylazanium;hydrate is CCCC[N+](CCCC)(CCCC)CCCC.O.[Cs+].[H-].
What is the InChIKey of cesium;hydride;tetrabutylazanium;hydrate?
The InChIKey is CRCUACIYHNATNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.Cs.H2O.H/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;;1H2;/q2*+1;;-1.
What are the key properties of cesium;hydride;tetrabutylazanium;hydrate?
cesium;hydride;tetrabutylazanium;hydrate has a molecular weight of 394.40 g/mol, XLogP of 1.30, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;hydride;tetrabutylazanium;hydrate is sourced from PubChem (CID 174975191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).