(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid

C20H30O3 — CID 91873595

IUPAC(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid
SMILESO=C(O)CCC/C=C/CC/C=C/C=C/C/C=C/C/C=C/CCO
InChIInChI=1S/C20H30O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1-4,7,9-10,12-13,15,21H,5-6,8,11,14,16-19H2,(H,22,23)/b3-1+,4-2+,9-7+,12-10+,15-13+
InChIKeyBIYHBAKWJZVIBU-KEFPCZAKSA-N
MW318.46 g/mol
LogP4.97
Rot. Bonds14

About (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid

(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid (PubChem CID 91873595) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid
PubChem CID91873595
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid
SMILESO=C(O)CCC/C=C/CC/C=C/C=C/C/C=C/C/C=C/CCO
InChIInChI=1S/C20H30O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1-4,7,9-10,12-13,15,21H,5-6,8,11,14,16-19H2,(H,22,23)/b3-1+,4-2+,9-7+,12-10+,15-13+
InChIKeyBIYHBAKWJZVIBU-KEFPCZAKSA-N
XLogP4.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.97
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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Related Compounds

8-hydroxyoct-5-enoic acid
CID 86081855
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
CID 87227113
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
tetradeca-5,8-dienedioic acid
CID 54091580
docosa-4,8,10,13,16-pentaenoic acid
CID 91036975
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383

Frequently Asked Questions

What is the IUPAC name of (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid?
The IUPAC name of (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid (CID 91873595) is (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid.
What is the SMILES notation for (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid?
The canonical SMILES for (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid is O=C(O)CCC/C=C/CC/C=C/C=C/C/C=C/C/C=C/CCO.
What is the InChIKey of (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid?
The InChIKey is BIYHBAKWJZVIBU-KEFPCZAKSA-N. The full InChI is InChI=1S/C20H30O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1-4,7,9-10,12-13,15,21H,5-6,8,11,14,16-19H2,(H,22,23)/b3-1+,4-2+,9-7+,12-10+,15-13+.
What are the key properties of (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid?
(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid has a molecular weight of 318.46 g/mol, XLogP of 4.97, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid is sourced from PubChem (CID 91873595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).