(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid

C20H34O3 — CID 5283143

IUPAC(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1
InChIKeyLSADDRSUZRRBAN-FDSUASFTSA-N
MW322.49 g/mol
LogP5.41
Rot. Bonds15

About (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid

(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid (PubChem CID 5283143) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid.

Molecular Properties

Compound Name(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
PubChem CID5283143
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1
InChIKeyLSADDRSUZRRBAN-FDSUASFTSA-N
XLogP5.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid?
The IUPAC name of (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid (CID 5283143) is (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid.
What is the SMILES notation for (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid?
The canonical SMILES for (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid is CCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O.
What is the InChIKey of (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid?
The InChIKey is LSADDRSUZRRBAN-FDSUASFTSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1.
What are the key properties of (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid?
(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid has a molecular weight of 322.49 g/mol, XLogP of 5.41, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid is sourced from PubChem (CID 5283143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).