(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid

C20H30O3 — CID 175795839

IUPAC(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid
SMILESCCCCCCCCC/C=C\C=C/C=C/C(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h10-16,18H,2-9,17H2,1H3,(H,22,23)/b11-10-,13-12-,16-14+,18-15?
InChIKeyRSKGVVVNOMWAGP-DAWRAVHHSA-N
MW318.46 g/mol
LogP5.40
Rot. Bonds14

About (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid

(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid (PubChem CID 175795839) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid.

Molecular Properties

Compound Name(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid
PubChem CID175795839
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid
SMILESCCCCCCCCC/C=C\C=C/C=C/C(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h10-16,18H,2-9,17H2,1H3,(H,22,23)/b11-10-,13-12-,16-14+,18-15?
InChIKeyRSKGVVVNOMWAGP-DAWRAVHHSA-N
XLogP5.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
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': '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,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
(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
(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,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388

Frequently Asked Questions

What is the IUPAC name of (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid?
The IUPAC name of (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid (CID 175795839) is (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid.
What is the SMILES notation for (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid?
The canonical SMILES for (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid is CCCCCCCCC/C=C\C=C/C=C/C(=O)CC=CC(=O)O.
What is the InChIKey of (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid?
The InChIKey is RSKGVVVNOMWAGP-DAWRAVHHSA-N. The full InChI is InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h10-16,18H,2-9,17H2,1H3,(H,22,23)/b11-10-,13-12-,16-14+,18-15?.
What are the key properties of (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid?
(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid has a molecular weight of 318.46 g/mol, XLogP of 5.40, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid is sourced from PubChem (CID 175795839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).