oxido(trioxo)rhenium;tetrabutylazanium

C16H36NO4Re — CID 11123851

IUPACoxido(trioxo)rhenium;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=[Re](=O)(=O)[O-]
InChIInChI=1S/C16H36N.4O.Re/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;-1;
InChIKeyMTTXKKTWRLXAKW-UHFFFAOYSA-N
MW492.67 g/mol
LogP3.46
Rot. Bonds12

About oxido(trioxo)rhenium;tetrabutylazanium

oxido(trioxo)rhenium;tetrabutylazanium (PubChem CID 11123851) has the molecular formula C16H36NO4Re and a molecular weight of 492.67 g/mol. Its IUPAC name is oxido(trioxo)rhenium;tetrabutylazanium.

Molecular Properties

Compound Nameoxido(trioxo)rhenium;tetrabutylazanium
PubChem CID11123851
Molecular FormulaC16H36NO4Re
Molecular Weight492.67 g/mol
Exact Mass493.22
IUPAC Nameoxido(trioxo)rhenium;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=[Re](=O)(=O)[O-]
InChIInChI=1S/C16H36N.4O.Re/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;-1;
InChIKeyMTTXKKTWRLXAKW-UHFFFAOYSA-N
XLogP3.46
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetrabutylammonium Perchlorate
CID 74723
Tetrabutylammonium Hydroxide
CID 2723671
Tetrabutylammonium
CID 16028
Tetrabutylammonium Periodate
CID 2724292
Tetrabutylammonium Fluoride Trihydrate
CID 11726816
Tetrabutylammonium hydroxide 30-hydrate
CID 16218633
Tetrapentylammonium perchlorate
CID 16218668
Tetrabutylammonium, salt with chromic acid (2:1)
CID 6453374
Bis(tetrabutylammonium) dichromate
CID 11767684
Tetrabutylammonium sulfate
CID 11405013
Tetrabutylammonium permanganate
CID 11760202
Tetrabutylammonium hydroxide hydrate
CID 86597561

Frequently Asked Questions

What is the IUPAC name of oxido(trioxo)rhenium;tetrabutylazanium?
The IUPAC name of oxido(trioxo)rhenium;tetrabutylazanium (CID 11123851) is oxido(trioxo)rhenium;tetrabutylazanium.
What is the SMILES notation for oxido(trioxo)rhenium;tetrabutylazanium?
The canonical SMILES for oxido(trioxo)rhenium;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.O=[Re](=O)(=O)[O-].
What is the InChIKey of oxido(trioxo)rhenium;tetrabutylazanium?
The InChIKey is MTTXKKTWRLXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.4O.Re/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;-1;.
What are the key properties of oxido(trioxo)rhenium;tetrabutylazanium?
oxido(trioxo)rhenium;tetrabutylazanium has a molecular weight of 492.67 g/mol, XLogP of 3.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(trioxo)rhenium;tetrabutylazanium is sourced from PubChem (CID 11123851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).