2-hydroxy-3-oxotetracosa-4,6-dienoic acid

C24H42O4 — CID 57133627

IUPAC2-hydroxy-3-oxotetracosa-4,6-dienoic acid
SMILESCCCCCCCCCCCCCCCCCC=CC=CC(=O)C(O)C(=O)O
InChIInChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(26)24(27)28/h18-21,23,26H,2-17H2,1H3,(H,27,28)
InChIKeyPABKKFIEDJFOTN-UHFFFAOYSA-N
MW394.60 g/mol
LogP6.37
Rot. Bonds20

About 2-hydroxy-3-oxotetracosa-4,6-dienoic acid

2-hydroxy-3-oxotetracosa-4,6-dienoic acid (PubChem CID 57133627) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-hydroxy-3-oxotetracosa-4,6-dienoic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxotetracosa-4,6-dienoic acid
PubChem CID57133627
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name2-hydroxy-3-oxotetracosa-4,6-dienoic acid
SMILESCCCCCCCCCCCCCCCCCC=CC=CC(=O)C(O)C(=O)O
InChIInChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(26)24(27)28/h18-21,23,26H,2-17H2,1H3,(H,27,28)
InChIKeyPABKKFIEDJFOTN-UHFFFAOYSA-N
XLogP6.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one
CID 162747154
(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,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
(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
azane;dodeca-2,4-dienoic acid
CID 174563549
docosa-2,4,6,8-tetraenoic acid
CID 158920983

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxotetracosa-4,6-dienoic acid?
The IUPAC name of 2-hydroxy-3-oxotetracosa-4,6-dienoic acid (CID 57133627) is 2-hydroxy-3-oxotetracosa-4,6-dienoic acid.
What is the SMILES notation for 2-hydroxy-3-oxotetracosa-4,6-dienoic acid?
The canonical SMILES for 2-hydroxy-3-oxotetracosa-4,6-dienoic acid is CCCCCCCCCCCCCCCCCC=CC=CC(=O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-oxotetracosa-4,6-dienoic acid?
The InChIKey is PABKKFIEDJFOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(26)24(27)28/h18-21,23,26H,2-17H2,1H3,(H,27,28).
What are the key properties of 2-hydroxy-3-oxotetracosa-4,6-dienoic acid?
2-hydroxy-3-oxotetracosa-4,6-dienoic acid has a molecular weight of 394.60 g/mol, XLogP of 6.37, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxotetracosa-4,6-dienoic acid is sourced from PubChem (CID 57133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).