alumane;formic acid;zinc

CH5AlO2Zn — CID 174669802

IUPACalumane;formic acid;zinc
SMILESO=CO.[AlH3].[Zn]
InChIInChI=1S/CH2O2.Al.Zn.3H/c2-1-3;;;;;/h1H,(H,2,3);;;;;
InChIKeyCIXMLLGIELEEJZ-UHFFFAOYSA-N
MW141.42 g/mol
LogP-1.49
Rot. Bonds

About alumane;formic acid;zinc

alumane;formic acid;zinc (PubChem CID 174669802) has the molecular formula CH5AlO2Zn and a molecular weight of 141.42 g/mol. Its IUPAC name is alumane;formic acid;zinc.

Molecular Properties

Compound Namealumane;formic acid;zinc
PubChem CID174669802
Molecular FormulaCH5AlO2Zn
Molecular Weight141.42 g/mol
Exact Mass139.94
IUPAC Namealumane;formic acid;zinc
SMILESO=CO.[AlH3].[Zn]
InChIInChI=1S/CH2O2.Al.Zn.3H/c2-1-3;;;;;/h1H,(H,2,3);;;;;
InChIKeyCIXMLLGIELEEJZ-UHFFFAOYSA-N
XLogP-1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.42
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;formic acid;zinc?
The IUPAC name of alumane;formic acid;zinc (CID 174669802) is alumane;formic acid;zinc.
What is the SMILES notation for alumane;formic acid;zinc?
The canonical SMILES for alumane;formic acid;zinc is O=CO.[AlH3].[Zn].
What is the InChIKey of alumane;formic acid;zinc?
The InChIKey is CIXMLLGIELEEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.Zn.3H/c2-1-3;;;;;/h1H,(H,2,3);;;;;.
What are the key properties of alumane;formic acid;zinc?
alumane;formic acid;zinc has a molecular weight of 141.42 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;formic acid;zinc is sourced from PubChem (CID 174669802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).