2,2-diethylhexanoic acid;nickel

C10H20NiO2 — CID 174321081

IUPAC2,2-diethylhexanoic acid;nickel
SMILESCCCCC(CC)(CC)C(=O)O.[Ni]
InChIInChI=1S/C10H20O2.Ni/c1-4-7-8-10(5-2,6-3)9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyAKOIMVSOMWPUDI-UHFFFAOYSA-N
MW230.96 g/mol
LogP3.07
Rot. Bonds6

About 2,2-diethylhexanoic acid;nickel

2,2-diethylhexanoic acid;nickel (PubChem CID 174321081) has the molecular formula C10H20NiO2 and a molecular weight of 230.96 g/mol. Its IUPAC name is 2,2-diethylhexanoic acid;nickel.

Molecular Properties

Compound Name2,2-diethylhexanoic acid;nickel
PubChem CID174321081
Molecular FormulaC10H20NiO2
Molecular Weight230.96 g/mol
Exact Mass230.08
IUPAC Name2,2-diethylhexanoic acid;nickel
SMILESCCCCC(CC)(CC)C(=O)O.[Ni]
InChIInChI=1S/C10H20O2.Ni/c1-4-7-8-10(5-2,6-3)9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyAKOIMVSOMWPUDI-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.96
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;indigane
CID 175172164
CID 87969329
CID 87969329
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2-butyl-2-ethylnonanoic acid
CID 57042574
CID 89130473
CID 89130473
2,2-dibutylbutanedioic acid
CID 22052925
2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
CID 79425699
2,2-diethyl-5-hydroxypentanoic acid
CID 79425038
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylhexanoic acid;nickel?
The IUPAC name of 2,2-diethylhexanoic acid;nickel (CID 174321081) is 2,2-diethylhexanoic acid;nickel.
What is the SMILES notation for 2,2-diethylhexanoic acid;nickel?
The canonical SMILES for 2,2-diethylhexanoic acid;nickel is CCCCC(CC)(CC)C(=O)O.[Ni].
What is the InChIKey of 2,2-diethylhexanoic acid;nickel?
The InChIKey is AKOIMVSOMWPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Ni/c1-4-7-8-10(5-2,6-3)9(11)12;/h4-8H2,1-3H3,(H,11,12);.
What are the key properties of 2,2-diethylhexanoic acid;nickel?
2,2-diethylhexanoic acid;nickel has a molecular weight of 230.96 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylhexanoic acid;nickel is sourced from PubChem (CID 174321081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).