propane;zirconium(4+);trihydroxide

C3H10O3Zr — CID 165042309

IUPACpropane;zirconium(4+);trihydroxide
SMILES[CH2-]CC.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C3H7.3H2O.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyCOLFXYUNEDPEOK-UHFFFAOYSA-K
MW185.33 g/mol
LogP0.70
Rot. Bonds

About propane;zirconium(4+);trihydroxide

propane;zirconium(4+);trihydroxide (PubChem CID 165042309) has the molecular formula C3H10O3Zr and a molecular weight of 185.33 g/mol. Its IUPAC name is propane;zirconium(4+);trihydroxide.

Molecular Properties

Compound Namepropane;zirconium(4+);trihydroxide
PubChem CID165042309
Molecular FormulaC3H10O3Zr
Molecular Weight185.33 g/mol
Exact Mass183.97
IUPAC Namepropane;zirconium(4+);trihydroxide
SMILES[CH2-]CC.[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/C3H7.3H2O.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyCOLFXYUNEDPEOK-UHFFFAOYSA-K
XLogP0.70
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of propane;zirconium(4+);trihydroxide?
The IUPAC name of propane;zirconium(4+);trihydroxide (CID 165042309) is propane;zirconium(4+);trihydroxide.
What is the SMILES notation for propane;zirconium(4+);trihydroxide?
The canonical SMILES for propane;zirconium(4+);trihydroxide is [CH2-]CC.[OH-].[OH-].[OH-].[Zr+4].
What is the InChIKey of propane;zirconium(4+);trihydroxide?
The InChIKey is COLFXYUNEDPEOK-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7.3H2O.Zr/c1-3-2;;;;/h1,3H2,2H3;3*1H2;/q-1;;;;+4/p-3.
What are the key properties of propane;zirconium(4+);trihydroxide?
propane;zirconium(4+);trihydroxide has a molecular weight of 185.33 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;zirconium(4+);trihydroxide is sourced from PubChem (CID 165042309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).