potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide

C36H70AlI2KO4 — CID 142053387

IUPACpotassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Al](I)OC(=O)CCCCCCCCCCCCCCCCC.[I-].[K+]
InChIInChI=1S/2C18H36O2.Al.2HI.K/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);;2*1H;/q;;+3;;;+1/p-4
InChIKeyKULZKVUTCVWGSW-UHFFFAOYSA-J
MW886.84 g/mol
LogP7.02
Rot. Bonds34

About potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide

potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide (PubChem CID 142053387) has the molecular formula C36H70AlI2KO4 and a molecular weight of 886.84 g/mol. Its IUPAC name is potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide.

Molecular Properties

Compound Namepotassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide
PubChem CID142053387
Molecular FormulaC36H70AlI2KO4
Molecular Weight886.84 g/mol
Exact Mass886.28
IUPAC Namepotassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Al](I)OC(=O)CCCCCCCCCCCCCCCCC.[I-].[K+]
InChIInChI=1S/2C18H36O2.Al.2HI.K/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);;2*1H;/q;;+3;;;+1/p-4
InChIKeyKULZKVUTCVWGSW-UHFFFAOYSA-J
XLogP7.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.84
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecanoyl dodecanoate;sulfane
CID 174888621
CID 142695322
CID 142695322
octadecanoyloxythallium
CID 16694851
sulfanyl heptanoate
CID 57174280
octanoyl tridecaneperoxoate
CID 141014591
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
heptanoyl octaneperoxoate
CID 142686679

Frequently Asked Questions

What is the IUPAC name of potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide?
The IUPAC name of potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide (CID 142053387) is potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide.
What is the SMILES notation for potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide?
The canonical SMILES for potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide is CCCCCCCCCCCCCCCCCC(=O)O[Al](I)OC(=O)CCCCCCCCCCCCCCCCC.[I-].[K+].
What is the InChIKey of potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide?
The InChIKey is KULZKVUTCVWGSW-UHFFFAOYSA-J. The full InChI is InChI=1S/2C18H36O2.Al.2HI.K/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);;2*1H;/q;;+3;;;+1/p-4.
What are the key properties of potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide?
potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide has a molecular weight of 886.84 g/mol, XLogP of 7.02, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[iodo(octadecanoyloxy)alumanyl] octadecanoate;iodide is sourced from PubChem (CID 142053387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).