cobalt(2+);tris(2-methylpropyl)alumane;diacetate

C16H33AlCoO4 — CID 173149166

IUPACcobalt(2+);tris(2-methylpropyl)alumane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)C[Al](CC(C)C)CC(C)C.[Co+2]
InChIInChI=1S/3C4H9.2C2H4O2.Al.Co/c3*1-4(2)3;2*1-2(3)4;;/h3*4H,1H2,2-3H3;2*1H3,(H,3,4);;/q;;;;;;+2/p-2
InChIKeyZNDRQMMWPPYKCU-UHFFFAOYSA-L
MW375.35 g/mol
LogP1.96
Rot. Bonds6

About cobalt(2+);tris(2-methylpropyl)alumane;diacetate

cobalt(2+);tris(2-methylpropyl)alumane;diacetate (PubChem CID 173149166) has the molecular formula C16H33AlCoO4 and a molecular weight of 375.35 g/mol. Its IUPAC name is cobalt(2+);tris(2-methylpropyl)alumane;diacetate.

Molecular Properties

Compound Namecobalt(2+);tris(2-methylpropyl)alumane;diacetate
PubChem CID173149166
Molecular FormulaC16H33AlCoO4
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Namecobalt(2+);tris(2-methylpropyl)alumane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)C[Al](CC(C)C)CC(C)C.[Co+2]
InChIInChI=1S/3C4H9.2C2H4O2.Al.Co/c3*1-4(2)3;2*1-2(3)4;;/h3*4H,1H2,2-3H3;2*1H3,(H,3,4);;/q;;;;;;+2/p-2
InChIKeyZNDRQMMWPPYKCU-UHFFFAOYSA-L
XLogP1.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane
CID 173003434
bis(cobalt(2+));tetraacetate
CID 157121376
bis(cobalt(2+));propanoate;diacetate
CID 173406713
cobalt(2+);acetate;hexahydrate
CID 21479533
bis(cobalt(2+));hexakis(lead(2+));octaacetate
CID 173373798
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
diazanium;propan-2-olate;acetate
CID 141066617
propan-2-ylazanium acetate
CID 22623609
calcium bis(3-methylbutanoate)
CID 6453767
2-hydroxypropylazanium acetate
CID 22134549
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
acetyloxidanium acetate
CID 158217679

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tris(2-methylpropyl)alumane;diacetate?
The IUPAC name of cobalt(2+);tris(2-methylpropyl)alumane;diacetate (CID 173149166) is cobalt(2+);tris(2-methylpropyl)alumane;diacetate.
What is the SMILES notation for cobalt(2+);tris(2-methylpropyl)alumane;diacetate?
The canonical SMILES for cobalt(2+);tris(2-methylpropyl)alumane;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)C[Al](CC(C)C)CC(C)C.[Co+2].
What is the InChIKey of cobalt(2+);tris(2-methylpropyl)alumane;diacetate?
The InChIKey is ZNDRQMMWPPYKCU-UHFFFAOYSA-L. The full InChI is InChI=1S/3C4H9.2C2H4O2.Al.Co/c3*1-4(2)3;2*1-2(3)4;;/h3*4H,1H2,2-3H3;2*1H3,(H,3,4);;/q;;;;;;+2/p-2.
What are the key properties of cobalt(2+);tris(2-methylpropyl)alumane;diacetate?
cobalt(2+);tris(2-methylpropyl)alumane;diacetate has a molecular weight of 375.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);tris(2-methylpropyl)alumane;diacetate is sourced from PubChem (CID 173149166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).