hafnium(4+);propane;dihydroxide

C6H16HfO2 — CID 172837789

IUPAChafnium(4+);propane;dihydroxide
SMILES[CH2-]CC.[CH2-]CC.[Hf+4].[OH-].[OH-]
InChIInChI=1S/2C3H7.Hf.2H2O/c2*1-3-2;;;/h2*1,3H2,2H3;;2*1H2/q2*-1;+4;;/p-2
InChIKeyGYGXFGGIJZOACM-UHFFFAOYSA-L
MW298.68 g/mol
LogP2.10
Rot. Bonds

About hafnium(4+);propane;dihydroxide

hafnium(4+);propane;dihydroxide (PubChem CID 172837789) has the molecular formula C6H16HfO2 and a molecular weight of 298.68 g/mol. Its IUPAC name is hafnium(4+);propane;dihydroxide.

Molecular Properties

Compound Namehafnium(4+);propane;dihydroxide
PubChem CID172837789
Molecular FormulaC6H16HfO2
Molecular Weight298.68 g/mol
Exact Mass300.06
IUPAC Namehafnium(4+);propane;dihydroxide
SMILES[CH2-]CC.[CH2-]CC.[Hf+4].[OH-].[OH-]
InChIInChI=1S/2C3H7.Hf.2H2O/c2*1-3-2;;;/h2*1,3H2,2H3;;2*1H2/q2*-1;+4;;/p-2
InChIKeyGYGXFGGIJZOACM-UHFFFAOYSA-L
XLogP2.10
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);propane;dihydroxide?
The IUPAC name of hafnium(4+);propane;dihydroxide (CID 172837789) is hafnium(4+);propane;dihydroxide.
What is the SMILES notation for hafnium(4+);propane;dihydroxide?
The canonical SMILES for hafnium(4+);propane;dihydroxide is [CH2-]CC.[CH2-]CC.[Hf+4].[OH-].[OH-].
What is the InChIKey of hafnium(4+);propane;dihydroxide?
The InChIKey is GYGXFGGIJZOACM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7.Hf.2H2O/c2*1-3-2;;;/h2*1,3H2,2H3;;2*1H2/q2*-1;+4;;/p-2.
What are the key properties of hafnium(4+);propane;dihydroxide?
hafnium(4+);propane;dihydroxide has a molecular weight of 298.68 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);propane;dihydroxide is sourced from PubChem (CID 172837789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).