cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane

C28H57AlCoO4 — CID 173003434

IUPACcobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
InChIInChI=1S/2C8H16O2.3C4H9.Al.Co/c2*1-3-5-6-7(4-2)8(9)10;3*1-4(2)3;;/h2*7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;/q;;;;;;+2/p-2
InChIKeyAOXWMBDOJOSZFW-UHFFFAOYSA-L
MW543.68 g/mol
LogP6.35
Rot. Bonds16

About cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane

cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane (PubChem CID 173003434) has the molecular formula C28H57AlCoO4 and a molecular weight of 543.68 g/mol. Its IUPAC name is cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane.

Molecular Properties

Compound Namecobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane
PubChem CID173003434
Molecular FormulaC28H57AlCoO4
Molecular Weight543.68 g/mol
Exact Mass543.34
IUPAC Namecobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
InChIInChI=1S/2C8H16O2.3C4H9.Al.Co/c2*1-3-5-6-7(4-2)8(9)10;3*1-4(2)3;;/h2*7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;/q;;;;;;+2/p-2
InChIKeyAOXWMBDOJOSZFW-UHFFFAOYSA-L
XLogP6.35
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.68
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23616604
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CID 20539845
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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane?
The IUPAC name of cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane (CID 173003434) is cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane.
What is the SMILES notation for cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane?
The canonical SMILES for cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)CC(C)C.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane?
The InChIKey is AOXWMBDOJOSZFW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.3C4H9.Al.Co/c2*1-3-5-6-7(4-2)8(9)10;3*1-4(2)3;;/h2*7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;/q;;;;;;+2/p-2.
What are the key properties of cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane?
cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane has a molecular weight of 543.68 g/mol, XLogP of 6.35, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane is sourced from PubChem (CID 173003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).