alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)

C20H46AlNiO2 — CID 175154497

IUPACalumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)
SMILESCC(C)CCCCC(=O)O.[AlH3].[CH2-]C(C)C.[CH2-]C(C)C.[CH2-]C(C)C.[Ni+3]
InChIInChI=1S/C8H16O2.3C4H9.Al.Ni.3H/c1-7(2)5-3-4-6-8(9)10;3*1-4(2)3;;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;;;;/q;3*-1;;+3;;;
InChIKeyODGYJKNXPOFZMN-UHFFFAOYSA-N
MW404.26 g/mol
LogP5.53
Rot. Bonds5

About alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)

alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+) (PubChem CID 175154497) has the molecular formula C20H46AlNiO2 and a molecular weight of 404.26 g/mol. Its IUPAC name is alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+).

Molecular Properties

Compound Namealumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)
PubChem CID175154497
Molecular FormulaC20H46AlNiO2
Molecular Weight404.26 g/mol
Exact Mass403.27
IUPAC Namealumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)
SMILESCC(C)CCCCC(=O)O.[AlH3].[CH2-]C(C)C.[CH2-]C(C)C.[CH2-]C(C)C.[Ni+3]
InChIInChI=1S/C8H16O2.3C4H9.Al.Ni.3H/c1-7(2)5-3-4-6-8(9)10;3*1-4(2)3;;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;;;;/q;3*-1;;+3;;;
InChIKeyODGYJKNXPOFZMN-UHFFFAOYSA-N
XLogP5.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.26
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
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CID 176895771
16-methylheptadecanoic acid
CID 87200881
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
sodium;hydride;6-methylheptanoic acid
CID 174475906
methoxymethane;16-methylheptadecanoic acid
CID 175921970
12,17-dimethyloctadecanoic acid
CID 123475021
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(6-methylheptanoic acid)
CID 173062766

Frequently Asked Questions

What is the IUPAC name of alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)?
The IUPAC name of alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+) (CID 175154497) is alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+).
What is the SMILES notation for alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)?
The canonical SMILES for alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+) is CC(C)CCCCC(=O)O.[AlH3].[CH2-]C(C)C.[CH2-]C(C)C.[CH2-]C(C)C.[Ni+3].
What is the InChIKey of alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)?
The InChIKey is ODGYJKNXPOFZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.3C4H9.Al.Ni.3H/c1-7(2)5-3-4-6-8(9)10;3*1-4(2)3;;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*4H,1H2,2-3H3;;;;;/q;3*-1;;+3;;;.
What are the key properties of alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+)?
alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+) has a molecular weight of 404.26 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tris(2-methanidylpropane);6-methylheptanoic acid;nickel(3+) is sourced from PubChem (CID 175154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).