aluminum tris(dodecanoate)

C36H69AlO6 — CID 18764696

IUPACaluminum tris(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/3C12H24O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3
InChIKeyKMJRBSYFFVNPPK-UHFFFAOYSA-K
MW624.92 g/mol
LogP7.59
Rot. Bonds30

About aluminum tris(dodecanoate)

aluminum tris(dodecanoate) (PubChem CID 18764696) has the molecular formula C36H69AlO6 and a molecular weight of 624.92 g/mol. Its IUPAC name is aluminum tris(dodecanoate).

Molecular Properties

Compound Namealuminum tris(dodecanoate)
PubChem CID18764696
Molecular FormulaC36H69AlO6
Molecular Weight624.92 g/mol
Exact Mass624.49
IUPAC Namealuminum tris(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Al+3]
InChIInChI=1S/3C12H24O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3
InChIKeyKMJRBSYFFVNPPK-UHFFFAOYSA-K
XLogP7.59
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.92
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

aluminum octanoate
CID 23176142
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
aluminum;calcium;bis(octadecanoate)
CID 19387726
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
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 tris(dodecanoate)?
The IUPAC name of aluminum tris(dodecanoate) (CID 18764696) is aluminum tris(dodecanoate).
What is the SMILES notation for aluminum tris(dodecanoate)?
The canonical SMILES for aluminum tris(dodecanoate) is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Al+3].
What is the InChIKey of aluminum tris(dodecanoate)?
The InChIKey is KMJRBSYFFVNPPK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H24O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3.
What are the key properties of aluminum tris(dodecanoate)?
aluminum tris(dodecanoate) has a molecular weight of 624.92 g/mol, XLogP of 7.59, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(dodecanoate) is sourced from PubChem (CID 18764696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).