alumane;propanoic acid

C6H15AlO4 — CID 173234599

IUPACalumane;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.[AlH3]
InChIInChI=1S/2C3H6O2.Al.3H/c2*1-2-3(4)5;;;;/h2*2H2,1H3,(H,4,5);;;;
InChIKeyVMCMCPPAWMOANW-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.22
Rot. Bonds2

About alumane;propanoic acid

alumane;propanoic acid (PubChem CID 173234599) has the molecular formula C6H15AlO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is alumane;propanoic acid.

Molecular Properties

Compound Namealumane;propanoic acid
PubChem CID173234599
Molecular FormulaC6H15AlO4
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Namealumane;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.[AlH3]
InChIInChI=1S/2C3H6O2.Al.3H/c2*1-2-3(4)5;;;;/h2*2H2,1H3,(H,4,5);;;;
InChIKeyVMCMCPPAWMOANW-UHFFFAOYSA-N
XLogP-0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of alumane;propanoic acid?
The IUPAC name of alumane;propanoic acid (CID 173234599) is alumane;propanoic acid.
What is the SMILES notation for alumane;propanoic acid?
The canonical SMILES for alumane;propanoic acid is CCC(=O)O.CCC(=O)O.[AlH3].
What is the InChIKey of alumane;propanoic acid?
The InChIKey is VMCMCPPAWMOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.Al.3H/c2*1-2-3(4)5;;;;/h2*2H2,1H3,(H,4,5);;;;.
What are the key properties of alumane;propanoic acid?
alumane;propanoic acid has a molecular weight of 178.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;propanoic acid is sourced from PubChem (CID 173234599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).