dimethylalumane;formic acid

C3H9AlO2 — CID 174652827

IUPACdimethylalumane;formic acid
SMILESC[AlH]C.O=CO
InChIInChI=1S/CH2O2.2CH3.Al.H/c2-1-3;;;;/h1H,(H,2,3);2*1H3;;
InChIKeyQMWPECNJOVXZJK-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.22
Rot. Bonds

About dimethylalumane;formic acid

dimethylalumane;formic acid (PubChem CID 174652827) has the molecular formula C3H9AlO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is dimethylalumane;formic acid.

Molecular Properties

Compound Namedimethylalumane;formic acid
PubChem CID174652827
Molecular FormulaC3H9AlO2
Molecular Weight104.08 g/mol
Exact Mass104.04
IUPAC Namedimethylalumane;formic acid
SMILESC[AlH]C.O=CO
InChIInChI=1S/CH2O2.2CH3.Al.H/c2-1-3;;;;/h1H,(H,2,3);2*1H3;;
InChIKeyQMWPECNJOVXZJK-UHFFFAOYSA-N
XLogP0.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 131858412
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CID 57473458
CID 57473458
formic acid;selane
CID 172697692
azanium formic acid
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Frequently Asked Questions

What is the IUPAC name of dimethylalumane;formic acid?
The IUPAC name of dimethylalumane;formic acid (CID 174652827) is dimethylalumane;formic acid.
What is the SMILES notation for dimethylalumane;formic acid?
The canonical SMILES for dimethylalumane;formic acid is C[AlH]C.O=CO.
What is the InChIKey of dimethylalumane;formic acid?
The InChIKey is QMWPECNJOVXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.2CH3.Al.H/c2-1-3;;;;/h1H,(H,2,3);2*1H3;;.
What are the key properties of dimethylalumane;formic acid?
dimethylalumane;formic acid has a molecular weight of 104.08 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylalumane;formic acid is sourced from PubChem (CID 174652827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).