2-butyl-4-ethyloctanoic acid;nickel

C14H28NiO2 — CID 87483186

IUPAC2-butyl-4-ethyloctanoic acid;nickel
SMILESCCCCC(CC)CC(CCCC)C(=O)O.[Ni]
InChIInChI=1S/C14H28O2.Ni/c1-4-7-9-12(6-3)11-13(14(15)16)10-8-5-2;/h12-13H,4-11H2,1-3H3,(H,15,16);
InChIKeyBMALTLBWPHEIMG-UHFFFAOYSA-N
MW287.07 g/mol
LogP4.48
Rot. Bonds10

About 2-butyl-4-ethyloctanoic acid;nickel

2-butyl-4-ethyloctanoic acid;nickel (PubChem CID 87483186) has the molecular formula C14H28NiO2 and a molecular weight of 287.07 g/mol. Its IUPAC name is 2-butyl-4-ethyloctanoic acid;nickel.

Molecular Properties

Compound Name2-butyl-4-ethyloctanoic acid;nickel
PubChem CID87483186
Molecular FormulaC14H28NiO2
Molecular Weight287.07 g/mol
Exact Mass286.14
IUPAC Name2-butyl-4-ethyloctanoic acid;nickel
SMILESCCCCC(CC)CC(CCCC)C(=O)O.[Ni]
InChIInChI=1S/C14H28O2.Ni/c1-4-7-9-12(6-3)11-13(14(15)16)10-8-5-2;/h12-13H,4-11H2,1-3H3,(H,15,16);
InChIKeyBMALTLBWPHEIMG-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-hexyloctanoic acid
CID 23205425
2-butyl-4-hexyldodecanoic acid
CID 154499879
4-butyl-2-octyldecanoic acid
CID 87603205
2-(2-butyloctyl)pentadecanoic acid
CID 24947833
2-decyl-4-hexyldodecanoic acid
CID 23195131
tris(4-ethyl-2-(sulfanylmethyl)octanoic acid);phosphorous acid
CID 161296389
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-(2-butyloctyl)-12-methyltridecanoic acid
CID 24947832
(9Z,12Z,15Z)-2-(2-ethylhexyl)octadeca-9,12,15-trienoic acid
CID 87559668
2-(2-ethylhexyl)nonanoic acid;octyl nonanoate
CID 159758073
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethyloctanoic acid;nickel?
The IUPAC name of 2-butyl-4-ethyloctanoic acid;nickel (CID 87483186) is 2-butyl-4-ethyloctanoic acid;nickel.
What is the SMILES notation for 2-butyl-4-ethyloctanoic acid;nickel?
The canonical SMILES for 2-butyl-4-ethyloctanoic acid;nickel is CCCCC(CC)CC(CCCC)C(=O)O.[Ni].
What is the InChIKey of 2-butyl-4-ethyloctanoic acid;nickel?
The InChIKey is BMALTLBWPHEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.Ni/c1-4-7-9-12(6-3)11-13(14(15)16)10-8-5-2;/h12-13H,4-11H2,1-3H3,(H,15,16);.
What are the key properties of 2-butyl-4-ethyloctanoic acid;nickel?
2-butyl-4-ethyloctanoic acid;nickel has a molecular weight of 287.07 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyloctanoic acid;nickel is sourced from PubChem (CID 87483186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).