bis(2-methylbutanoic acid);nickel

C10H20NiO4 — CID 170549792

IUPACbis(2-methylbutanoic acid);nickel
SMILESCCC(C)C(=O)O.CCC(C)C(=O)O.[Ni]
InChIInChI=1S/2C5H10O2.Ni/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);
InChIKeyOKQJSYJHIDWOOR-UHFFFAOYSA-N
MW262.96 g/mol
LogP2.23
Rot. Bonds4

About bis(2-methylbutanoic acid);nickel

bis(2-methylbutanoic acid);nickel (PubChem CID 170549792) has the molecular formula C10H20NiO4 and a molecular weight of 262.96 g/mol. Its IUPAC name is bis(2-methylbutanoic acid);nickel.

Molecular Properties

Compound Namebis(2-methylbutanoic acid);nickel
PubChem CID170549792
Molecular FormulaC10H20NiO4
Molecular Weight262.96 g/mol
Exact Mass262.07
IUPAC Namebis(2-methylbutanoic acid);nickel
SMILESCCC(C)C(=O)O.CCC(C)C(=O)O.[Ni]
InChIInChI=1S/2C5H10O2.Ni/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);
InChIKeyOKQJSYJHIDWOOR-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.96
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
CID 88513173
CID 88513173
methyl butanoate;2-methylbutanoic acid
CID 87240757
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
ethane;ethenyl acetate;2-methylbutanoic acid
CID 174248174
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
calcium 3-methyl-2-oxopentanoic acid
CID 42613103

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutanoic acid);nickel?
The IUPAC name of bis(2-methylbutanoic acid);nickel (CID 170549792) is bis(2-methylbutanoic acid);nickel.
What is the SMILES notation for bis(2-methylbutanoic acid);nickel?
The canonical SMILES for bis(2-methylbutanoic acid);nickel is CCC(C)C(=O)O.CCC(C)C(=O)O.[Ni].
What is the InChIKey of bis(2-methylbutanoic acid);nickel?
The InChIKey is OKQJSYJHIDWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2.Ni/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);.
What are the key properties of bis(2-methylbutanoic acid);nickel?
bis(2-methylbutanoic acid);nickel has a molecular weight of 262.96 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutanoic acid);nickel is sourced from PubChem (CID 170549792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).