(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid

C23H36O2 — CID 21286858

IUPAC(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
SMILESCCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/C(=O)O
InChIInChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h5-6,9-10,13-14,17-18,21-22H,2-4,7-8,11-12,15-16,19-20H2,1H3,(H,24,25)/b6-5+,10-9+,14-13+,18-17+,22-21+
InChIKeyQGCICWWSHKSBSD-VLOIDXQASA-N
MW344.54 g/mol
LogP7.16
Rot. Bonds16

About (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid

(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid (PubChem CID 21286858) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid.

Molecular Properties

Compound Name(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
PubChem CID21286858
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
SMILESCCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/C(=O)O
InChIInChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h5-6,9-10,13-14,17-18,21-22H,2-4,7-8,11-12,15-16,19-20H2,1H3,(H,24,25)/b6-5+,10-9+,14-13+,18-17+,22-21+
InChIKeyQGCICWWSHKSBSD-VLOIDXQASA-N
XLogP7.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.16
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid with MolForge

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Related Compounds

CID 158204021
CID 158204021
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
cyclopentane;(E)-hept-2-enoic acid
CID 66887361
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
(Z)-oct-2-enoic acid
CID 5282713
iron;(E)-oct-2-enoic acid
CID 89456364
undec-2-enoic acid
CID 519180
(E)-oct-2-enoic acid;zirconium
CID 89456417
octadeca-2,11,13-trienoic acid
CID 173322272
bis(heptadec-2-enoic acid);zinc
CID 172555643

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid?
The IUPAC name of (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid (CID 21286858) is (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid.
What is the SMILES notation for (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid?
The canonical SMILES for (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid is CCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/C(=O)O.
What is the InChIKey of (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid?
The InChIKey is QGCICWWSHKSBSD-VLOIDXQASA-N. The full InChI is InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h5-6,9-10,13-14,17-18,21-22H,2-4,7-8,11-12,15-16,19-20H2,1H3,(H,24,25)/b6-5+,10-9+,14-13+,18-17+,22-21+.
What are the key properties of (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid?
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid has a molecular weight of 344.54 g/mol, XLogP of 7.16, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid is sourced from PubChem (CID 21286858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).