alumane;formic acid

CH8Al2O2 — CID 173326555

IUPACalumane;formic acid
SMILESO=CO.[AlH3].[AlH3]
InChIInChI=1S/CH2O2.2Al.6H/c2-1-3;;;;;;;;/h1H,(H,2,3);;;;;;;;
InChIKeyVDLXDSXNBDTECB-UHFFFAOYSA-N
MW106.04 g/mol
LogP-2.67
Rot. Bonds

About alumane;formic acid

alumane;formic acid (PubChem CID 173326555) has the molecular formula CH8Al2O2 and a molecular weight of 106.04 g/mol. Its IUPAC name is alumane;formic acid.

Molecular Properties

Compound Namealumane;formic acid
PubChem CID173326555
Molecular FormulaCH8Al2O2
Molecular Weight106.04 g/mol
Exact Mass106.02
IUPAC Namealumane;formic acid
SMILESO=CO.[AlH3].[AlH3]
InChIInChI=1S/CH2O2.2Al.6H/c2-1-3;;;;;;;;/h1H,(H,2,3);;;;;;;;
InChIKeyVDLXDSXNBDTECB-UHFFFAOYSA-N
XLogP-2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.04
LogP ≤ 5-2.67
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 alumane;formic acid?
The IUPAC name of alumane;formic acid (CID 173326555) is alumane;formic acid.
What is the SMILES notation for alumane;formic acid?
The canonical SMILES for alumane;formic acid is O=CO.[AlH3].[AlH3].
What is the InChIKey of alumane;formic acid?
The InChIKey is VDLXDSXNBDTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.2Al.6H/c2-1-3;;;;;;;;/h1H,(H,2,3);;;;;;;;.
What are the key properties of alumane;formic acid?
alumane;formic acid has a molecular weight of 106.04 g/mol, XLogP of -2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;formic acid is sourced from PubChem (CID 173326555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).