zinc;2-ethylhexanoic acid;hydrogen borate

C8H17BO5Zn — CID 175224057

IUPACzinc;2-ethylhexanoic acid;hydrogen borate
SMILESCCCCC(CC)C(=O)O.[O-]B([O-])O.[Zn+2]
InChIInChI=1S/C8H16O2.BHO3.Zn/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2H;/q;-2;+2
InChIKeyVAVFIDYRQMLWBP-UHFFFAOYSA-N
MW269.42 g/mol
LogP-1.03
Rot. Bonds5

About zinc;2-ethylhexanoic acid;hydrogen borate

zinc;2-ethylhexanoic acid;hydrogen borate (PubChem CID 175224057) has the molecular formula C8H17BO5Zn and a molecular weight of 269.42 g/mol. Its IUPAC name is zinc;2-ethylhexanoic acid;hydrogen borate.

Molecular Properties

Compound Namezinc;2-ethylhexanoic acid;hydrogen borate
PubChem CID175224057
Molecular FormulaC8H17BO5Zn
Molecular Weight269.42 g/mol
Exact Mass268.05
IUPAC Namezinc;2-ethylhexanoic acid;hydrogen borate
SMILESCCCCC(CC)C(=O)O.[O-]B([O-])O.[Zn+2]
InChIInChI=1S/C8H16O2.BHO3.Zn/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2H;/q;-2;+2
InChIKeyVAVFIDYRQMLWBP-UHFFFAOYSA-N
XLogP-1.03
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc;2-ethylhexanoic acid;hydrogen borate 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

silver;dihydrogen borate;2-ethylhexanoic acid
CID 175224124
boric acid;2-ethylhexanoic acid;niobium
CID 163361263
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
zinc;2-ethylhexanoate;2-ethylhexanoic acid
CID 165000820
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;hexadecane
CID 174408772

Frequently Asked Questions

What is the IUPAC name of zinc;2-ethylhexanoic acid;hydrogen borate?
The IUPAC name of zinc;2-ethylhexanoic acid;hydrogen borate (CID 175224057) is zinc;2-ethylhexanoic acid;hydrogen borate.
What is the SMILES notation for zinc;2-ethylhexanoic acid;hydrogen borate?
The canonical SMILES for zinc;2-ethylhexanoic acid;hydrogen borate is CCCCC(CC)C(=O)O.[O-]B([O-])O.[Zn+2].
What is the InChIKey of zinc;2-ethylhexanoic acid;hydrogen borate?
The InChIKey is VAVFIDYRQMLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.BHO3.Zn/c1-3-5-6-7(4-2)8(9)10;2-1(3)4;/h7H,3-6H2,1-2H3,(H,9,10);2H;/q;-2;+2.
What are the key properties of zinc;2-ethylhexanoic acid;hydrogen borate?
zinc;2-ethylhexanoic acid;hydrogen borate has a molecular weight of 269.42 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-ethylhexanoic acid;hydrogen borate is sourced from PubChem (CID 175224057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).