dioxido(dioxo)chromium;bis(tetrabutylazanium)

C32H72CrN2O4 — CID 6453374

IUPACdioxido(dioxo)chromium;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])[O-]
InChIInChI=1S/2C16H36N.Cr.4O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;;;;/q2*+1;;;;2*-1
InChIKeyZWQUOQAMKSRLDH-UHFFFAOYSA-N
MW600.93 g/mol
LogP7.39
Rot. Bonds24

About dioxido(dioxo)chromium;bis(tetrabutylazanium)

dioxido(dioxo)chromium;bis(tetrabutylazanium) (PubChem CID 6453374) has the molecular formula C32H72CrN2O4 and a molecular weight of 600.93 g/mol. Its IUPAC name is dioxido(dioxo)chromium;bis(tetrabutylazanium).

Molecular Properties

Compound Namedioxido(dioxo)chromium;bis(tetrabutylazanium)
PubChem CID6453374
Molecular FormulaC32H72CrN2O4
Molecular Weight600.93 g/mol
Exact Mass600.49
IUPAC Namedioxido(dioxo)chromium;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])[O-]
InChIInChI=1S/2C16H36N.Cr.4O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;;;;/q2*+1;;;;2*-1
InChIKeyZWQUOQAMKSRLDH-UHFFFAOYSA-N
XLogP7.39
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.93
LogP ≤ 57.39
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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Frequently Asked Questions

What is the IUPAC name of dioxido(dioxo)chromium;bis(tetrabutylazanium)?
The IUPAC name of dioxido(dioxo)chromium;bis(tetrabutylazanium) (CID 6453374) is dioxido(dioxo)chromium;bis(tetrabutylazanium).
What is the SMILES notation for dioxido(dioxo)chromium;bis(tetrabutylazanium)?
The canonical SMILES for dioxido(dioxo)chromium;bis(tetrabutylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])[O-].
What is the InChIKey of dioxido(dioxo)chromium;bis(tetrabutylazanium)?
The InChIKey is ZWQUOQAMKSRLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H36N.Cr.4O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;;;;/q2*+1;;;;2*-1.
What are the key properties of dioxido(dioxo)chromium;bis(tetrabutylazanium)?
dioxido(dioxo)chromium;bis(tetrabutylazanium) has a molecular weight of 600.93 g/mol, XLogP of 7.39, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(dioxo)chromium;bis(tetrabutylazanium) is sourced from PubChem (CID 6453374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).