nonane;zirconium(4+);trihydroxide

C9H22O3Zr — CID 172793707

IUPACnonane;zirconium(4+);trihydroxide
SMILES[CH2-]CCCCCCCC.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C9H19.3H2O.Zr/c1-3-5-7-9-8-6-4-2;;;;/h1,3-9H2,2H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyAJBDUKMRKOAMKD-UHFFFAOYSA-K
MW269.50 g/mol
LogP3.04
Rot. Bonds6

About nonane;zirconium(4+);trihydroxide

nonane;zirconium(4+);trihydroxide (PubChem CID 172793707) has the molecular formula C9H22O3Zr and a molecular weight of 269.50 g/mol. Its IUPAC name is nonane;zirconium(4+);trihydroxide.

Molecular Properties

Compound Namenonane;zirconium(4+);trihydroxide
PubChem CID172793707
Molecular FormulaC9H22O3Zr
Molecular Weight269.50 g/mol
Exact Mass268.06
IUPAC Namenonane;zirconium(4+);trihydroxide
SMILES[CH2-]CCCCCCCC.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C9H19.3H2O.Zr/c1-3-5-7-9-8-6-4-2;;;;/h1,3-9H2,2H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyAJBDUKMRKOAMKD-UHFFFAOYSA-K
XLogP3.04
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(heptane);zirconium(4+)
CID 154501032
tetrakis(dodecane);zirconium(4+)
CID 173426195
hafnium(4+);nonane;trihydroxide
CID 172731149
heptadecane
CID 156905849
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
cerium;dodecane
CID 154114371
bis(octane);zinc
CID 175041964
sodium tritriacontane
CID 150964196
lithium tridecane
CID 11321439
tris(heptane);vanadium
CID 59340167
lithium heptadecane
CID 12950399

Frequently Asked Questions

What is the IUPAC name of nonane;zirconium(4+);trihydroxide?
The IUPAC name of nonane;zirconium(4+);trihydroxide (CID 172793707) is nonane;zirconium(4+);trihydroxide.
What is the SMILES notation for nonane;zirconium(4+);trihydroxide?
The canonical SMILES for nonane;zirconium(4+);trihydroxide is [CH2-]CCCCCCCC.[OH-].[OH-].[OH-].[Zr+4].
What is the InChIKey of nonane;zirconium(4+);trihydroxide?
The InChIKey is AJBDUKMRKOAMKD-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H19.3H2O.Zr/c1-3-5-7-9-8-6-4-2;;;;/h1,3-9H2,2H3;3*1H2;/q-1;;;;+4/p-3.
What are the key properties of nonane;zirconium(4+);trihydroxide?
nonane;zirconium(4+);trihydroxide has a molecular weight of 269.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonane;zirconium(4+);trihydroxide is sourced from PubChem (CID 172793707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).