lithium;alumane;formic acid;hydride

CH6AlLiO2 — CID 173390321

IUPAClithium;alumane;formic acid;hydride
SMILESO=CO.[AlH3].[H-].[Li+]
InChIInChI=1S/CH2O2.Al.Li.4H/c2-1-3;;;;;;/h1H,(H,2,3);;;;;;/q;;+1;;;;-1
InChIKeyUEBSDOPXTBNFPU-UHFFFAOYSA-N
MW83.98 g/mol
LogP-4.37
Rot. Bonds

About lithium;alumane;formic acid;hydride

lithium;alumane;formic acid;hydride (PubChem CID 173390321) has the molecular formula CH6AlLiO2 and a molecular weight of 83.98 g/mol. Its IUPAC name is lithium;alumane;formic acid;hydride.

Molecular Properties

Compound Namelithium;alumane;formic acid;hydride
PubChem CID173390321
Molecular FormulaCH6AlLiO2
Molecular Weight83.98 g/mol
Exact Mass84.03
IUPAC Namelithium;alumane;formic acid;hydride
SMILESO=CO.[AlH3].[H-].[Li+]
InChIInChI=1S/CH2O2.Al.Li.4H/c2-1-3;;;;;;/h1H,(H,2,3);;;;;;/q;;+1;;;;-1
InChIKeyUEBSDOPXTBNFPU-UHFFFAOYSA-N
XLogP-4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.98
LogP ≤ 5-4.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;formic acid;hydride?
The IUPAC name of lithium;alumane;formic acid;hydride (CID 173390321) is lithium;alumane;formic acid;hydride.
What is the SMILES notation for lithium;alumane;formic acid;hydride?
The canonical SMILES for lithium;alumane;formic acid;hydride is O=CO.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;formic acid;hydride?
The InChIKey is UEBSDOPXTBNFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.Li.4H/c2-1-3;;;;;;/h1H,(H,2,3);;;;;;/q;;+1;;;;-1.
What are the key properties of lithium;alumane;formic acid;hydride?
lithium;alumane;formic acid;hydride has a molecular weight of 83.98 g/mol, XLogP of -4.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;formic acid;hydride is sourced from PubChem (CID 173390321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).