alumane;oxaldehydic acid;tetrachlorozirconium

C2H5AlCl4O3Zr — CID 175537175

IUPACalumane;oxaldehydic acid;tetrachlorozirconium
SMILESCl[Zr](Cl)(Cl)Cl.O=CC(=O)O.[AlH3]
InChIInChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;/q;;;;;;+4;;;/p-4
InChIKeyUHGJTVCSOMUTBJ-UHFFFAOYSA-J
MW337.08 g/mol
LogP0.84
Rot. Bonds1

About alumane;oxaldehydic acid;tetrachlorozirconium

alumane;oxaldehydic acid;tetrachlorozirconium (PubChem CID 175537175) has the molecular formula C2H5AlCl4O3Zr and a molecular weight of 337.08 g/mol. Its IUPAC name is alumane;oxaldehydic acid;tetrachlorozirconium.

Molecular Properties

Compound Namealumane;oxaldehydic acid;tetrachlorozirconium
PubChem CID175537175
Molecular FormulaC2H5AlCl4O3Zr
Molecular Weight337.08 g/mol
Exact Mass333.79
IUPAC Namealumane;oxaldehydic acid;tetrachlorozirconium
SMILESCl[Zr](Cl)(Cl)Cl.O=CC(=O)O.[AlH3]
InChIInChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;/q;;;;;;+4;;;/p-4
InChIKeyUHGJTVCSOMUTBJ-UHFFFAOYSA-J
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;oxaldehydic acid;tetrachlorozirconium?
The IUPAC name of alumane;oxaldehydic acid;tetrachlorozirconium (CID 175537175) is alumane;oxaldehydic acid;tetrachlorozirconium.
What is the SMILES notation for alumane;oxaldehydic acid;tetrachlorozirconium?
The canonical SMILES for alumane;oxaldehydic acid;tetrachlorozirconium is Cl[Zr](Cl)(Cl)Cl.O=CC(=O)O.[AlH3].
What is the InChIKey of alumane;oxaldehydic acid;tetrachlorozirconium?
The InChIKey is UHGJTVCSOMUTBJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;/q;;;;;;+4;;;/p-4.
What are the key properties of alumane;oxaldehydic acid;tetrachlorozirconium?
alumane;oxaldehydic acid;tetrachlorozirconium has a molecular weight of 337.08 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;oxaldehydic acid;tetrachlorozirconium is sourced from PubChem (CID 175537175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).