octadecanoyloxythallium

C18H35O2Tl — CID 16694851

IUPACoctadecanoyloxythallium
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Tl]
InChIInChI=1S/C18H36O2.Tl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyCUEKJWSALCWBPG-UHFFFAOYSA-M
MW487.86 g/mol
LogP5.87
Rot. Bonds16

About octadecanoyloxythallium

octadecanoyloxythallium (PubChem CID 16694851) has the molecular formula C18H35O2Tl and a molecular weight of 487.86 g/mol. Its IUPAC name is octadecanoyloxythallium.

Molecular Properties

Compound Nameoctadecanoyloxythallium
PubChem CID16694851
Molecular FormulaC18H35O2Tl
Molecular Weight487.86 g/mol
Exact Mass488.24
IUPAC Nameoctadecanoyloxythallium
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Tl]
InChIInChI=1S/C18H36O2.Tl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyCUEKJWSALCWBPG-UHFFFAOYSA-M
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.86
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octadecanoyloxythallium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of octadecanoyloxythallium?
The IUPAC name of octadecanoyloxythallium (CID 16694851) is octadecanoyloxythallium.
What is the SMILES notation for octadecanoyloxythallium?
The canonical SMILES for octadecanoyloxythallium is CCCCCCCCCCCCCCCCCC(=O)O[Tl].
What is the InChIKey of octadecanoyloxythallium?
The InChIKey is CUEKJWSALCWBPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.Tl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of octadecanoyloxythallium?
octadecanoyloxythallium has a molecular weight of 487.86 g/mol, XLogP of 5.87, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanoyloxythallium is sourced from PubChem (CID 16694851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).