acetic acid;alumane;2,4-dioxopentanoic acid

C9H17AlO8 — CID 175287698

IUPACacetic acid;alumane;2,4-dioxopentanoic acid
SMILESCC(=O)CC(=O)C(=O)O.CC(=O)O.CC(=O)O.[AlH3]
InChIInChI=1S/C5H6O4.2C2H4O2.Al.3H/c1-3(6)2-4(7)5(8)9;2*1-2(3)4;;;;/h2H2,1H3,(H,8,9);2*1H3,(H,3,4);;;;
InChIKeyOMEMFFFXHDCZRC-UHFFFAOYSA-N
MW280.21 g/mol
LogP-1.38
Rot. Bonds3

About acetic acid;alumane;2,4-dioxopentanoic acid

acetic acid;alumane;2,4-dioxopentanoic acid (PubChem CID 175287698) has the molecular formula C9H17AlO8 and a molecular weight of 280.21 g/mol. Its IUPAC name is acetic acid;alumane;2,4-dioxopentanoic acid.

Molecular Properties

Compound Nameacetic acid;alumane;2,4-dioxopentanoic acid
PubChem CID175287698
Molecular FormulaC9H17AlO8
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Nameacetic acid;alumane;2,4-dioxopentanoic acid
SMILESCC(=O)CC(=O)C(=O)O.CC(=O)O.CC(=O)O.[AlH3]
InChIInChI=1S/C5H6O4.2C2H4O2.Al.3H/c1-3(6)2-4(7)5(8)9;2*1-2(3)4;;;;/h2H2,1H3,(H,8,9);2*1H3,(H,3,4);;;;
InChIKeyOMEMFFFXHDCZRC-UHFFFAOYSA-N
XLogP-1.38
TPSA146.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxopentanoic acid;palladium
CID 87130936
2,4-dioxopentanoic acid;gadolinium
CID 87456221
2,4-dioxopentanoic acid;rhodium
CID 87833287
2,4-dioxopentanoic acid;iridium
CID 87676479
bis(2,4-dioxopentanoic acid);nickel;hexahydrate
CID 166064531
CID 87196635
CID 87196635
titanium;2,4,6-trioxoheptanoic acid
CID 174769229
butan-1-ol;2,4-dioxopentanoic acid;zirconium
CID 174576253
CID 87196642
CID 87196642
Lithium pentane-2,4-dione
CID 86735745
3-oxobutanoic acid
CID 96
alumane;pentane-2,4-dione;zirconium;trihydrate
CID 173133313

Frequently Asked Questions

What is the IUPAC name of acetic acid;alumane;2,4-dioxopentanoic acid?
The IUPAC name of acetic acid;alumane;2,4-dioxopentanoic acid (CID 175287698) is acetic acid;alumane;2,4-dioxopentanoic acid.
What is the SMILES notation for acetic acid;alumane;2,4-dioxopentanoic acid?
The canonical SMILES for acetic acid;alumane;2,4-dioxopentanoic acid is CC(=O)CC(=O)C(=O)O.CC(=O)O.CC(=O)O.[AlH3].
What is the InChIKey of acetic acid;alumane;2,4-dioxopentanoic acid?
The InChIKey is OMEMFFFXHDCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.2C2H4O2.Al.3H/c1-3(6)2-4(7)5(8)9;2*1-2(3)4;;;;/h2H2,1H3,(H,8,9);2*1H3,(H,3,4);;;;.
What are the key properties of acetic acid;alumane;2,4-dioxopentanoic acid?
acetic acid;alumane;2,4-dioxopentanoic acid has a molecular weight of 280.21 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;alumane;2,4-dioxopentanoic acid is sourced from PubChem (CID 175287698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).