hexakis((Z)-octadec-9-enoate);uranium

C108H198O12U-6 — CID 173422763

IUPAChexakis((Z)-octadec-9-enoate);uranium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[U]
InChIInChI=1S/6C18H34O2.U/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6*9-10H,2-8,11-17H2,1H3,(H,19,20);/p-6/b6*10-9-;
InChIKeyIIJGHXBLGDRECF-TZSTUCKJSA-H
MW1926.79 g/mol
LogP28.64
Rot. Bonds90

About hexakis((Z)-octadec-9-enoate);uranium

hexakis((Z)-octadec-9-enoate);uranium (PubChem CID 173422763) has the molecular formula C108H198O12U-6 and a molecular weight of 1926.79 g/mol. Its IUPAC name is hexakis((Z)-octadec-9-enoate);uranium.

Molecular Properties

Compound Namehexakis((Z)-octadec-9-enoate);uranium
PubChem CID173422763
Molecular FormulaC108H198O12U-6
Molecular Weight1926.79 g/mol
Exact Mass1925.54
IUPAC Namehexakis((Z)-octadec-9-enoate);uranium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[U]
InChIInChI=1S/6C18H34O2.U/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6*9-10H,2-8,11-17H2,1H3,(H,19,20);/p-6/b6*10-9-;
InChIKeyIIJGHXBLGDRECF-TZSTUCKJSA-H
XLogP28.64
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds90
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001926.79
LogP ≤ 528.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

(E)-triacont-15-enoate
CID 59800253
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
cobalt(2+);(Z)-octadec-9-enoate
CID 20839514
tris((Z)-icos-9-enoate);indium(3+)
CID 175691542
iron(2+);bis((Z)-octadec-11-enoate)
CID 175691867
iron(3+);(Z)-octadec-9-enoate
CID 22297787

Frequently Asked Questions

What is the IUPAC name of hexakis((Z)-octadec-9-enoate);uranium?
The IUPAC name of hexakis((Z)-octadec-9-enoate);uranium (CID 173422763) is hexakis((Z)-octadec-9-enoate);uranium.
What is the SMILES notation for hexakis((Z)-octadec-9-enoate);uranium?
The canonical SMILES for hexakis((Z)-octadec-9-enoate);uranium is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[U].
What is the InChIKey of hexakis((Z)-octadec-9-enoate);uranium?
The InChIKey is IIJGHXBLGDRECF-TZSTUCKJSA-H. The full InChI is InChI=1S/6C18H34O2.U/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6*9-10H,2-8,11-17H2,1H3,(H,19,20);/p-6/b6*10-9-;.
What are the key properties of hexakis((Z)-octadec-9-enoate);uranium?
hexakis((Z)-octadec-9-enoate);uranium has a molecular weight of 1926.79 g/mol, XLogP of 28.64, 90 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis((Z)-octadec-9-enoate);uranium is sourced from PubChem (CID 173422763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).