tris((Z)-icos-9-enoic acid);yttrium

C60H114O6Y — CID 155704235

IUPACtris((Z)-icos-9-enoic acid);yttrium
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.[Y]
InChIInChI=1S/3C20H38O2.Y/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*11-12H,2-10,13-19H2,1H3,(H,21,22);/b3*12-11-;
InChIKeyUGLWGFYRMKHKGZ-GCNXSBQASA-N
MW1020.47 g/mol
LogP20.66
Rot. Bonds51

About tris((Z)-icos-9-enoic acid);yttrium

tris((Z)-icos-9-enoic acid);yttrium (PubChem CID 155704235) has the molecular formula C60H114O6Y and a molecular weight of 1020.47 g/mol. Its IUPAC name is tris((Z)-icos-9-enoic acid);yttrium.

Molecular Properties

Compound Nametris((Z)-icos-9-enoic acid);yttrium
PubChem CID155704235
Molecular FormulaC60H114O6Y
Molecular Weight1020.47 g/mol
Exact Mass1019.77
IUPAC Nametris((Z)-icos-9-enoic acid);yttrium
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.[Y]
InChIInChI=1S/3C20H38O2.Y/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*11-12H,2-10,13-19H2,1H3,(H,21,22);/b3*12-11-;
InChIKeyUGLWGFYRMKHKGZ-GCNXSBQASA-N
XLogP20.66
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.47
LogP ≤ 520.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of tris((Z)-icos-9-enoic acid);yttrium?
The IUPAC name of tris((Z)-icos-9-enoic acid);yttrium (CID 155704235) is tris((Z)-icos-9-enoic acid);yttrium.
What is the SMILES notation for tris((Z)-icos-9-enoic acid);yttrium?
The canonical SMILES for tris((Z)-icos-9-enoic acid);yttrium is CCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCC/C=C\CCCCCCCC(=O)O.[Y].
What is the InChIKey of tris((Z)-icos-9-enoic acid);yttrium?
The InChIKey is UGLWGFYRMKHKGZ-GCNXSBQASA-N. The full InChI is InChI=1S/3C20H38O2.Y/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*11-12H,2-10,13-19H2,1H3,(H,21,22);/b3*12-11-;.
What are the key properties of tris((Z)-icos-9-enoic acid);yttrium?
tris((Z)-icos-9-enoic acid);yttrium has a molecular weight of 1020.47 g/mol, XLogP of 20.66, 51 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-icos-9-enoic acid);yttrium is sourced from PubChem (CID 155704235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).