aluminum octanoate

C8H15AlO2+2 — CID 23176142

IUPACaluminum octanoate
SMILESCCCCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/C8H16O2.Al/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1
InChIKeyBIAMYKBXBDVYJI-UHFFFAOYSA-M
MW170.19 g/mol
LogP0.72
Rot. Bonds6

About aluminum octanoate

aluminum octanoate (PubChem CID 23176142) has the molecular formula C8H15AlO2+2 and a molecular weight of 170.19 g/mol. Its IUPAC name is aluminum octanoate.

Molecular Properties

Compound Namealuminum octanoate
PubChem CID23176142
Molecular FormulaC8H15AlO2+2
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Namealuminum octanoate
SMILESCCCCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/C8H16O2.Al/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1
InChIKeyBIAMYKBXBDVYJI-UHFFFAOYSA-M
XLogP0.72
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(dodecanoate)
CID 18764696
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
aluminum;calcium;bis(octadecanoate)
CID 19387726
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452

Frequently Asked Questions

What is the IUPAC name of aluminum octanoate?
The IUPAC name of aluminum octanoate (CID 23176142) is aluminum octanoate.
What is the SMILES notation for aluminum octanoate?
The canonical SMILES for aluminum octanoate is CCCCCCCC(=O)[O-].[Al+3].
What is the InChIKey of aluminum octanoate?
The InChIKey is BIAMYKBXBDVYJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Al/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1.
What are the key properties of aluminum octanoate?
aluminum octanoate has a molecular weight of 170.19 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum octanoate is sourced from PubChem (CID 23176142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).