tricosa-2,4,6,8-tetraenoic acid

C23H38O2 — CID 53406034

IUPACtricosa-2,4,6,8-tetraenoic acid
SMILESCCCCCCCCCCCCCCC=CC=CC=CC=CC(=O)O
InChIInChI=1S/C23H38O2/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/h15-22H,2-14H2,1H3,(H,24,25)
InChIKeyLVAVKVKNMMSGKG-UHFFFAOYSA-N
MW346.55 g/mol
LogP7.39
Rot. Bonds17

About tricosa-2,4,6,8-tetraenoic acid

tricosa-2,4,6,8-tetraenoic acid (PubChem CID 53406034) has the molecular formula C23H38O2 and a molecular weight of 346.55 g/mol. Its IUPAC name is tricosa-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Nametricosa-2,4,6,8-tetraenoic acid
PubChem CID53406034
Molecular FormulaC23H38O2
Molecular Weight346.55 g/mol
Exact Mass346.29
IUPAC Nametricosa-2,4,6,8-tetraenoic acid
SMILESCCCCCCCCCCCCCCC=CC=CC=CC=CC(=O)O
InChIInChI=1S/C23H38O2/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/h15-22H,2-14H2,1H3,(H,24,25)
InChIKeyLVAVKVKNMMSGKG-UHFFFAOYSA-N
XLogP7.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
(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
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989

Frequently Asked Questions

What is the IUPAC name of tricosa-2,4,6,8-tetraenoic acid?
The IUPAC name of tricosa-2,4,6,8-tetraenoic acid (CID 53406034) is tricosa-2,4,6,8-tetraenoic acid.
What is the SMILES notation for tricosa-2,4,6,8-tetraenoic acid?
The canonical SMILES for tricosa-2,4,6,8-tetraenoic acid is CCCCCCCCCCCCCCC=CC=CC=CC=CC(=O)O.
What is the InChIKey of tricosa-2,4,6,8-tetraenoic acid?
The InChIKey is LVAVKVKNMMSGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/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/h15-22H,2-14H2,1H3,(H,24,25).
What are the key properties of tricosa-2,4,6,8-tetraenoic acid?
tricosa-2,4,6,8-tetraenoic acid has a molecular weight of 346.55 g/mol, XLogP of 7.39, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 53406034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).