tetrakis(octadecanoate);thorium(4+)

C72H140O8Th — CID 160802738

IUPACtetrakis(octadecanoate);thorium(4+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Th+4]
InChIInChI=1S/4C18H36O2.Th/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4
InChIKeySDHJPOOZNFAFOZ-UHFFFAOYSA-J
MW1365.94 g/mol
LogP19.99
Rot. Bonds64

About tetrakis(octadecanoate);thorium(4+)

tetrakis(octadecanoate);thorium(4+) (PubChem CID 160802738) has the molecular formula C72H140O8Th and a molecular weight of 1365.94 g/mol. Its IUPAC name is tetrakis(octadecanoate);thorium(4+).

Molecular Properties

Compound Nametetrakis(octadecanoate);thorium(4+)
PubChem CID160802738
Molecular FormulaC72H140O8Th
Molecular Weight1365.94 g/mol
Exact Mass1365.09
IUPAC Nametetrakis(octadecanoate);thorium(4+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Th+4]
InChIInChI=1S/4C18H36O2.Th/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4
InChIKeySDHJPOOZNFAFOZ-UHFFFAOYSA-J
XLogP19.99
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds64
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.94
LogP ≤ 519.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(octadecanoate);thorium(4+) 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

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
indium(3+);tris(nonadecanoate)
CID 175734096

Frequently Asked Questions

What is the IUPAC name of tetrakis(octadecanoate);thorium(4+)?
The IUPAC name of tetrakis(octadecanoate);thorium(4+) (CID 160802738) is tetrakis(octadecanoate);thorium(4+).
What is the SMILES notation for tetrakis(octadecanoate);thorium(4+)?
The canonical SMILES for tetrakis(octadecanoate);thorium(4+) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Th+4].
What is the InChIKey of tetrakis(octadecanoate);thorium(4+)?
The InChIKey is SDHJPOOZNFAFOZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H36O2.Th/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4.
What are the key properties of tetrakis(octadecanoate);thorium(4+)?
tetrakis(octadecanoate);thorium(4+) has a molecular weight of 1365.94 g/mol, XLogP of 19.99, 64 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(octadecanoate);thorium(4+) is sourced from PubChem (CID 160802738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).