(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid

C20H30O5 — CID 146318706

IUPAC(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESCCCCCC(O)C(O)CC/C=C/C=C(O)/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-7-14-18(22)19(23)15-10-6-9-13-17(21)12-8-4-5-11-16-20(24)25/h4-6,8-9,11-13,16,18-19,21-23H,2-3,7,10,14-15H2,1H3,(H,24,25)/b5-4+,9-6+,12-8+,16-11+,17-13-
InChIKeySGJHQWMLAAQPNV-QOYJPPBWSA-N
MW350.45 g/mol
LogP3.82
Rot. Bonds13

About (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid

(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid (PubChem CID 146318706) has the molecular formula C20H30O5 and a molecular weight of 350.45 g/mol. Its IUPAC name is (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
PubChem CID146318706
Molecular FormulaC20H30O5
Molecular Weight350.45 g/mol
Exact Mass350.21
IUPAC Name(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESCCCCCC(O)C(O)CC/C=C/C=C(O)/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-7-14-18(22)19(23)15-10-6-9-13-17(21)12-8-4-5-11-16-20(24)25/h4-6,8-9,11-13,16,18-19,21-23H,2-3,7,10,14-15H2,1H3,(H,24,25)/b5-4+,9-6+,12-8+,16-11+,17-13-
InChIKeySGJHQWMLAAQPNV-QOYJPPBWSA-N
XLogP3.82
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid with MolForge

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Related Compounds

(17S)-10,17-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 90011466
13,14-dihydroxydocosa-2,4,6-trienoic acid
CID 169110942
(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 87235348
(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
docosa-2,4,6,8-tetraenoic acid
CID 158920983

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The IUPAC name of (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid (CID 146318706) is (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid is CCCCCC(O)C(O)CC/C=C/C=C(O)/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
The InChIKey is SGJHQWMLAAQPNV-QOYJPPBWSA-N. The full InChI is InChI=1S/C20H30O5/c1-2-3-7-14-18(22)19(23)15-10-6-9-13-17(21)12-8-4-5-11-16-20(24)25/h4-6,8-9,11-13,16,18-19,21-23H,2-3,7,10,14-15H2,1H3,(H,24,25)/b5-4+,9-6+,12-8+,16-11+,17-13-.
What are the key properties of (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid?
(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid has a molecular weight of 350.45 g/mol, XLogP of 3.82, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 146318706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).