boric acid;2-ethylhexanoic acid;niobium

C8H19BNbO5 — CID 163361263

IUPACboric acid;2-ethylhexanoic acid;niobium
SMILESCCCCC(CC)C(=O)O.OB(O)O.[Nb]
InChIInChI=1S/C8H16O2.BH3O3.Nb/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2-4H;
InChIKeyKDUZXCNEIPAOAJ-UHFFFAOYSA-N
MW298.95 g/mol
LogP0.23
Rot. Bonds5

About boric acid;2-ethylhexanoic acid;niobium

boric acid;2-ethylhexanoic acid;niobium (PubChem CID 163361263) has the molecular formula C8H19BNbO5 and a molecular weight of 298.95 g/mol. Its IUPAC name is boric acid;2-ethylhexanoic acid;niobium.

Molecular Properties

Compound Nameboric acid;2-ethylhexanoic acid;niobium
PubChem CID163361263
Molecular FormulaC8H19BNbO5
Molecular Weight298.95 g/mol
Exact Mass299.04
IUPAC Nameboric acid;2-ethylhexanoic acid;niobium
SMILESCCCCC(CC)C(=O)O.OB(O)O.[Nb]
InChIInChI=1S/C8H16O2.BH3O3.Nb/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2-4H;
InChIKeyKDUZXCNEIPAOAJ-UHFFFAOYSA-N
XLogP0.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.95
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;palladium(2+)
CID 18629949
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
silver;dihydrogen borate;2-ethylhexanoic acid
CID 175224124
zinc;2-ethylhexanoic acid;hydrogen borate
CID 175224057
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;hexadecane
CID 174408772

Frequently Asked Questions

What is the IUPAC name of boric acid;2-ethylhexanoic acid;niobium?
The IUPAC name of boric acid;2-ethylhexanoic acid;niobium (CID 163361263) is boric acid;2-ethylhexanoic acid;niobium.
What is the SMILES notation for boric acid;2-ethylhexanoic acid;niobium?
The canonical SMILES for boric acid;2-ethylhexanoic acid;niobium is CCCCC(CC)C(=O)O.OB(O)O.[Nb].
What is the InChIKey of boric acid;2-ethylhexanoic acid;niobium?
The InChIKey is KDUZXCNEIPAOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.BH3O3.Nb/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2-4H;.
What are the key properties of boric acid;2-ethylhexanoic acid;niobium?
boric acid;2-ethylhexanoic acid;niobium has a molecular weight of 298.95 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-ethylhexanoic acid;niobium is sourced from PubChem (CID 163361263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).