(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid

C20H34O5 — CID 11954059

IUPAC(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
SMILESCCCCCC(O)C(O)/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
InChIKeyYCFPVUKKIWMCJK-LTCHCNGXSA-N
MW354.49 g/mol
LogP3.35
Rot. Bonds15

About (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid

(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid (PubChem CID 11954059) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid.

Molecular Properties

Compound Name(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
PubChem CID11954059
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
SMILESCCCCCC(O)C(O)/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
InChIKeyYCFPVUKKIWMCJK-LTCHCNGXSA-N
XLogP3.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

Ricinoleic Acid
CID 643684
Lipoxin A4
CID 5280914
15(s)-Hete
CID 5280724
Methyl Ricinoleate
CID 5354133
9(S)-Hode
CID 5312830
12S-Hete
CID 5283155
Potassium Ricinoleate
CID 23716429
Glyceryl Ricinoleate
CID 6433266
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid
CID 5283147
Resolvin D1
CID 44251266
Lipoxin B4
CID 5280915
8(S)-Hete
CID 5283154

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid?
The IUPAC name of (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid (CID 11954059) is (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid.
What is the SMILES notation for (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid?
The canonical SMILES for (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid is CCCCCC(O)C(O)/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid?
The InChIKey is YCFPVUKKIWMCJK-LTCHCNGXSA-N. The full InChI is InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+.
What are the key properties of (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid?
(5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid has a molecular weight of 354.49 g/mol, XLogP of 3.35, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid is sourced from PubChem (CID 11954059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).