(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid

C20H31FO2 — CID 5462113

IUPAC(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid
SMILESO=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC[18F]
InChIInChI=1S/C20H31FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-/i21-1
InChIKeySYCLRLSYDSKRQU-OWLDCLQPSA-N
MW321.47 g/mol
LogP6.17
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid (PubChem CID 5462113) has the molecular formula C20H31FO2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid
PubChem CID5462113
Molecular FormulaC20H31FO2
Molecular Weight321.47 g/mol
Exact Mass321.23
IUPAC Name(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid
SMILESO=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC[18F]
InChIInChI=1S/C20H31FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-/i21-1
InChIKeySYCLRLSYDSKRQU-OWLDCLQPSA-N
XLogP6.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
tetradeca-5,8-dienedioic acid
CID 54091580
(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
(Z)-dodec-5-enedioic acid
CID 86751837
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
CID 52921834
CID 87290377
CID 87290377
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid (CID 5462113) is (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid is O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC[18F].
What is the InChIKey of (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is SYCLRLSYDSKRQU-OWLDCLQPSA-N. The full InChI is InChI=1S/C20H31FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-/i21-1.
What are the key properties of (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid has a molecular weight of 321.47 g/mol, XLogP of 6.17, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-20-(18F)fluoroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 5462113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).