11-hydroxyicosa-5,8,12,14,17-pentaenoic acid

C20H30O3 — CID 53394253

IUPAC11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
SMILESCCC=CCC=CC=CC(O)CC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)
InChIKeyIDEHSDHMEMMYIR-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.96
Rot. Bonds13

About 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid

11-hydroxyicosa-5,8,12,14,17-pentaenoic acid (PubChem CID 53394253) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid.

Molecular Properties

Compound Name11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
PubChem CID53394253
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
SMILESCCC=CCC=CC=CC(O)CC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)
InChIKeyIDEHSDHMEMMYIR-UHFFFAOYSA-N
XLogP4.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.96
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

(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
CID 14016627
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
CID 70698743
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid?
The IUPAC name of 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid (CID 53394253) is 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid.
What is the SMILES notation for 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid?
The canonical SMILES for 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid is CCC=CCC=CC=CC(O)CC=CCC=CCCCC(=O)O.
What is the InChIKey of 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid?
The InChIKey is IDEHSDHMEMMYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23).
What are the key properties of 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid?
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid has a molecular weight of 318.46 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyicosa-5,8,12,14,17-pentaenoic acid is sourced from PubChem (CID 53394253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).