15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid

C20H30O4 — CID 87596076

IUPAC15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid
SMILESCCCCCC(O)C=CCCCC=CC=CC(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h6,8,10-12,14-15,17-18,21H,2-5,7,9,13,16H2,1H3,(H,23,24)
InChIKeyXSVUOKQQALAHFZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.37
Rot. Bonds14

About 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid

15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid (PubChem CID 87596076) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid.

Molecular Properties

Compound Name15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid
PubChem CID87596076
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid
SMILESCCCCCC(O)C=CCCCC=CC=CC(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h6,8,10-12,14-15,17-18,21H,2-5,7,9,13,16H2,1H3,(H,23,24)
InChIKeyXSVUOKQQALAHFZ-UHFFFAOYSA-N
XLogP4.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid
CID 175795839
(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid
CID 91051958
(6E,8E,10E,14E)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
CID 6285743
(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
13,14-dihydroxydocosa-2,4,6-trienoic acid
CID 169110942
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
4-hydroxyheptacos-2-enoic acid
CID 88698148
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
henicos-7-en-6-ol
CID 91409967
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid?
The IUPAC name of 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid (CID 87596076) is 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid.
What is the SMILES notation for 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid?
The canonical SMILES for 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid is CCCCCC(O)C=CCCCC=CC=CC(=O)CC=CC(=O)O.
What is the InChIKey of 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid?
The InChIKey is XSVUOKQQALAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h6,8,10-12,14-15,17-18,21H,2-5,7,9,13,16H2,1H3,(H,23,24).
What are the key properties of 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid?
15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.37, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid is sourced from PubChem (CID 87596076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).