2-chloroacetic acid;2-ethylhexanoic acid;nickel

C10H19ClNiO4 — CID 174381559

IUPAC2-chloroacetic acid;2-ethylhexanoic acid;nickel
SMILESCCCCC(CC)C(=O)O.O=C(O)CCl.[Ni]
InChIInChI=1S/C8H16O2.C2H3ClO2.Ni/c1-3-5-6-7(4-2)8(9)10;3-1-2(4)5;/h7H,3-6H2,1-2H3,(H,9,10);1H2,(H,4,5);
InChIKeyBFQHINHUMTWLLI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.59
Rot. Bonds6

About 2-chloroacetic acid;2-ethylhexanoic acid;nickel

2-chloroacetic acid;2-ethylhexanoic acid;nickel (PubChem CID 174381559) has the molecular formula C10H19ClNiO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-chloroacetic acid;2-ethylhexanoic acid;nickel.

Molecular Properties

Compound Name2-chloroacetic acid;2-ethylhexanoic acid;nickel
PubChem CID174381559
Molecular FormulaC10H19ClNiO4
Molecular Weight297.40 g/mol
Exact Mass296.03
IUPAC Name2-chloroacetic acid;2-ethylhexanoic acid;nickel
SMILESCCCCC(CC)C(=O)O.O=C(O)CCl.[Ni]
InChIInChI=1S/C8H16O2.C2H3ClO2.Ni/c1-3-5-6-7(4-2)8(9)10;3-1-2(4)5;/h7H,3-6H2,1-2H3,(H,9,10);1H2,(H,4,5);
InChIKeyBFQHINHUMTWLLI-UHFFFAOYSA-N
XLogP2.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-ethylhexanoic acid;hexadecane
CID 174408772
N-butylbutan-1-amine;2-ethylhexanoic acid
CID 22182206

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetic acid;2-ethylhexanoic acid;nickel?
The IUPAC name of 2-chloroacetic acid;2-ethylhexanoic acid;nickel (CID 174381559) is 2-chloroacetic acid;2-ethylhexanoic acid;nickel.
What is the SMILES notation for 2-chloroacetic acid;2-ethylhexanoic acid;nickel?
The canonical SMILES for 2-chloroacetic acid;2-ethylhexanoic acid;nickel is CCCCC(CC)C(=O)O.O=C(O)CCl.[Ni].
What is the InChIKey of 2-chloroacetic acid;2-ethylhexanoic acid;nickel?
The InChIKey is BFQHINHUMTWLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H3ClO2.Ni/c1-3-5-6-7(4-2)8(9)10;3-1-2(4)5;/h7H,3-6H2,1-2H3,(H,9,10);1H2,(H,4,5);.
What are the key properties of 2-chloroacetic acid;2-ethylhexanoic acid;nickel?
2-chloroacetic acid;2-ethylhexanoic acid;nickel has a molecular weight of 297.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetic acid;2-ethylhexanoic acid;nickel is sourced from PubChem (CID 174381559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).