chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium

C18H31CrMnNO12 — CID 139247014

IUPACchromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium
SMILESCCC[N+](C)(CCC)C[C@@H](C)CC.O=C([O-])C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O.[Cr].[Mn+2]
InChIInChI=1S/C12H28N.3C2H2O4.Cr.Mn/c1-6-9-13(5,10-7-2)11-12(4)8-3;3*3-1(4)2(5)6;;/h12H,6-11H2,1-5H3;3*(H,3,4)(H,5,6);;/q+1;;;;;+2/p-3/t12-;;;;;/m0...../s1
InChIKeyNQPHECPJYTWBOG-SXZTZMMXSA-K
MW560.38 g/mol
LogP-3.24
Rot. Bonds7

About chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium

chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium (PubChem CID 139247014) has the molecular formula C18H31CrMnNO12 and a molecular weight of 560.38 g/mol. Its IUPAC name is chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium.

Molecular Properties

Compound Namechromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium
PubChem CID139247014
Molecular FormulaC18H31CrMnNO12
Molecular Weight560.38 g/mol
Exact Mass560.06
IUPAC Namechromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium
SMILESCCC[N+](C)(CCC)C[C@@H](C)CC.O=C([O-])C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O.[Cr].[Mn+2]
InChIInChI=1S/C12H28N.3C2H2O4.Cr.Mn/c1-6-9-13(5,10-7-2)11-12(4)8-3;3*3-1(4)2(5)6;;/h12H,6-11H2,1-5H3;3*(H,3,4)(H,5,6);;/q+1;;;;;+2/p-3/t12-;;;;;/m0...../s1
InChIKeyNQPHECPJYTWBOG-SXZTZMMXSA-K
XLogP-3.24
TPSA232.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.38
LogP ≤ 5-3.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-methylbutyl)-dipropylazanium
CID 139247008
2-hydroxy-2-oxoacetate;tributyl(methyl)azanium
CID 173028371
carbonic acid;3-methylpentane
CID 173481374
diethyl-methyl-propylazanium;2-methoxyacetate
CID 118645672
(5R)-5-methylheptan-3-one
CID 6566014
butyl-dimethyl-(2-methylbutyl)azanium
CID 88981039
ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
CID 139053074
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
2-carboxyethyl-ethyl-methyl-propylazanium
CID 159284407
2-hydroxy-2-oxoacetate;tripropylsulfanium
CID 173028379
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
[(2S)-2-methylbutyl]carbamic acid
CID 147069594

Frequently Asked Questions

What is the IUPAC name of chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium?
The IUPAC name of chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium (CID 139247014) is chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium.
What is the SMILES notation for chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium?
The canonical SMILES for chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium is CCC[N+](C)(CCC)C[C@@H](C)CC.O=C([O-])C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O.[Cr].[Mn+2].
What is the InChIKey of chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium?
The InChIKey is NQPHECPJYTWBOG-SXZTZMMXSA-K. The full InChI is InChI=1S/C12H28N.3C2H2O4.Cr.Mn/c1-6-9-13(5,10-7-2)11-12(4)8-3;3*3-1(4)2(5)6;;/h12H,6-11H2,1-5H3;3*(H,3,4)(H,5,6);;/q+1;;;;;+2/p-3/t12-;;;;;/m0...../s1.
What are the key properties of chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium?
chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium has a molecular weight of 560.38 g/mol, XLogP of -3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium is sourced from PubChem (CID 139247014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).