20-oxoicosa-2,4,6,8-tetraenoic acid

C20H30O3 — CID 54530292

IUPAC20-oxoicosa-2,4,6,8-tetraenoic acid
SMILESO=CCCCCCCCCCCC=CC=CC=CC=CC(=O)O
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/h4,6,8,10,12,14,16,18-19H,1-3,5,7,9,11,13,15,17H2,(H,22,23)
InChIKeyYWAQPABTLRXVBN-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.40
Rot. Bonds15

About 20-oxoicosa-2,4,6,8-tetraenoic acid

20-oxoicosa-2,4,6,8-tetraenoic acid (PubChem CID 54530292) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 20-oxoicosa-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name20-oxoicosa-2,4,6,8-tetraenoic acid
PubChem CID54530292
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name20-oxoicosa-2,4,6,8-tetraenoic acid
SMILESO=CCCCCCCCCCCC=CC=CC=CC=CC(=O)O
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/h4,6,8,10,12,14,16,18-19H,1-3,5,7,9,11,13,15,17H2,(H,22,23)
InChIKeyYWAQPABTLRXVBN-UHFFFAOYSA-N
XLogP5.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-13-oxotrideca-2,4-dienoic acid
CID 177426996
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
CID 87404974
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
nonadeca-2,4,6-trienedioic acid
CID 123861344
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479
tricosa-2,4,6,8-tetraenoic acid
CID 53406034
(2E,4E,6E)-heptadeca-2,4,6-trienedioic acid
CID 87404781

Frequently Asked Questions

What is the IUPAC name of 20-oxoicosa-2,4,6,8-tetraenoic acid?
The IUPAC name of 20-oxoicosa-2,4,6,8-tetraenoic acid (CID 54530292) is 20-oxoicosa-2,4,6,8-tetraenoic acid.
What is the SMILES notation for 20-oxoicosa-2,4,6,8-tetraenoic acid?
The canonical SMILES for 20-oxoicosa-2,4,6,8-tetraenoic acid is O=CCCCCCCCCCCC=CC=CC=CC=CC(=O)O.
What is the InChIKey of 20-oxoicosa-2,4,6,8-tetraenoic acid?
The InChIKey is YWAQPABTLRXVBN-UHFFFAOYSA-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/h4,6,8,10,12,14,16,18-19H,1-3,5,7,9,11,13,15,17H2,(H,22,23).
What are the key properties of 20-oxoicosa-2,4,6,8-tetraenoic acid?
20-oxoicosa-2,4,6,8-tetraenoic acid has a molecular weight of 318.46 g/mol, XLogP of 5.40, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxoicosa-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 54530292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).