Aluminum Distearate

C36H72AlO5 — CID 16682938

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCC.O
InChIInChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+2;/p-2
InChIKeyZFBYSSBIQZUBBE-UHFFFAOYSA-L
MW611.95 g/mol
LogP11.31
Rot. Bonds34

About Aluminum Distearate

Aluminum Distearate (PubChem CID 16682938) has the molecular formula C36H72AlO5 and a molecular weight of 611.95 g/mol.

Molecular Properties

Compound NameAluminum Distearate
PubChem CID16682938
Molecular FormulaC36H72AlO5
Molecular Weight611.95 g/mol
Exact Mass611.52
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCC.O
InChIInChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+2;/p-2
InChIKeyZFBYSSBIQZUBBE-UHFFFAOYSA-L
XLogP11.31
TPSA84.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.95
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxoalumanyl dodecanoate
CID 56843778
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
CID 136772805
CID 136772805
methyl heptadecanoate
CID 15609
dodecanoyl dodecanoate;sulfane
CID 174888621

Frequently Asked Questions

What is the IUPAC name of Aluminum Distearate?
The IUPAC name of Aluminum Distearate (CID 16682938) is not available.
What is the SMILES notation for Aluminum Distearate?
The canonical SMILES for Aluminum Distearate is CCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCC.O.
What is the InChIKey of Aluminum Distearate?
The InChIKey is ZFBYSSBIQZUBBE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+2;/p-2.
What are the key properties of Aluminum Distearate?
Aluminum Distearate has a molecular weight of 611.95 g/mol, XLogP of 11.31, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Aluminum Distearate is sourced from PubChem (CID 16682938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).