2-ethylhexanoic acid;niobium

C8H16NbO2 — CID 87060397

IUPAC2-ethylhexanoic acid;niobium
SMILESCCCCC(CC)C(=O)O.[Nb]
InChIInChI=1S/C8H16O2.Nb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
InChIKeyJGUAIAMPONKRLK-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.28
Rot. Bonds5

About 2-ethylhexanoic acid;niobium

2-ethylhexanoic acid;niobium (PubChem CID 87060397) has the molecular formula C8H16NbO2 and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-ethylhexanoic acid;niobium.

Molecular Properties

Compound Name2-ethylhexanoic acid;niobium
PubChem CID87060397
Molecular FormulaC8H16NbO2
Molecular Weight237.12 g/mol
Exact Mass237.02
IUPAC Name2-ethylhexanoic acid;niobium
SMILESCCCCC(CC)C(=O)O.[Nb]
InChIInChI=1S/C8H16O2.Nb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
InChIKeyJGUAIAMPONKRLK-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethylhexanoic acid;niobium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
boric acid;2-ethylhexanoic acid;niobium
CID 163361263
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-ethylhexanoic acid;hexadecane
CID 174408772
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoic acid;niobium?
The IUPAC name of 2-ethylhexanoic acid;niobium (CID 87060397) is 2-ethylhexanoic acid;niobium.
What is the SMILES notation for 2-ethylhexanoic acid;niobium?
The canonical SMILES for 2-ethylhexanoic acid;niobium is CCCCC(CC)C(=O)O.[Nb].
What is the InChIKey of 2-ethylhexanoic acid;niobium?
The InChIKey is JGUAIAMPONKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Nb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);.
What are the key properties of 2-ethylhexanoic acid;niobium?
2-ethylhexanoic acid;niobium has a molecular weight of 237.12 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoic acid;niobium is sourced from PubChem (CID 87060397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).