2-methylpentane;zirconium(4+);trihydroxide

C6H16O3Zr — CID 172719510

IUPAC2-methylpentane;zirconium(4+);trihydroxide
SMILES[CH2-]CCC(C)C.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C6H13.3H2O.Zr/c1-4-5-6(2)3;;;;/h6H,1,4-5H2,2-3H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyZGJGQKZRTYTPME-UHFFFAOYSA-K
MW227.41 g/mol
LogP1.72
Rot. Bonds2

About 2-methylpentane;zirconium(4+);trihydroxide

2-methylpentane;zirconium(4+);trihydroxide (PubChem CID 172719510) has the molecular formula C6H16O3Zr and a molecular weight of 227.41 g/mol. Its IUPAC name is 2-methylpentane;zirconium(4+);trihydroxide.

Molecular Properties

Compound Name2-methylpentane;zirconium(4+);trihydroxide
PubChem CID172719510
Molecular FormulaC6H16O3Zr
Molecular Weight227.41 g/mol
Exact Mass226.01
IUPAC Name2-methylpentane;zirconium(4+);trihydroxide
SMILES[CH2-]CCC(C)C.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C6H13.3H2O.Zr/c1-4-5-6(2)3;;;;/h6H,1,4-5H2,2-3H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyZGJGQKZRTYTPME-UHFFFAOYSA-K
XLogP1.72
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentane;rubidium(1+)
CID 163579122
zinc bis(2-methylpentane)
CID 11481754
tris(2-methylpentane);zirconium(3+);hydrate
CID 164789251
bis(2-methylpentane);titanium(2+);hydrate
CID 175523357
ethane;lanthanum;2-methylpentane
CID 154248830
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
cobalt;2-methylheptane
CID 170567086
tris(2-methylheptadecane);titanium(3+)
CID 23174974
2-methylnonane;titanium;hydrate
CID 174186153
magnesium;2-methylheptane;propane
CID 140617225
2,5-dimethylheptane
CID 90756934

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane;zirconium(4+);trihydroxide?
The IUPAC name of 2-methylpentane;zirconium(4+);trihydroxide (CID 172719510) is 2-methylpentane;zirconium(4+);trihydroxide.
What is the SMILES notation for 2-methylpentane;zirconium(4+);trihydroxide?
The canonical SMILES for 2-methylpentane;zirconium(4+);trihydroxide is [CH2-]CCC(C)C.[OH-].[OH-].[OH-].[Zr+4].
What is the InChIKey of 2-methylpentane;zirconium(4+);trihydroxide?
The InChIKey is ZGJGQKZRTYTPME-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H13.3H2O.Zr/c1-4-5-6(2)3;;;;/h6H,1,4-5H2,2-3H3;3*1H2;/q-1;;;;+4/p-3.
What are the key properties of 2-methylpentane;zirconium(4+);trihydroxide?
2-methylpentane;zirconium(4+);trihydroxide has a molecular weight of 227.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane;zirconium(4+);trihydroxide is sourced from PubChem (CID 172719510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).