(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid

C22H32O4 — CID 87235348

IUPAC(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
SMILESCCCCCCCCC(O)/C=C/C=C/C=C/C(O)=C/C=C/C=C/C(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h7-9,11-14,16-20,23-24H,2-6,10,15H2,1H3,(H,25,26)/b8-7+,13-9+,16-11+,17-12+,19-14+,21-18-
InChIKeyOBFAXIYGUQFVKH-KBVBUEMWSA-N
MW360.49 g/mol
LogP5.41
Rot. Bonds14

About (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid

(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid (PubChem CID 87235348) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid.

Molecular Properties

Compound Name(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
PubChem CID87235348
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
SMILESCCCCCCCCC(O)/C=C/C=C/C=C/C(O)=C/C=C/C=C/C(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h7-9,11-14,16-20,23-24H,2-6,10,15H2,1H3,(H,25,26)/b8-7+,13-9+,16-11+,17-12+,19-14+,21-18-
InChIKeyOBFAXIYGUQFVKH-KBVBUEMWSA-N
XLogP5.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid with MolForge

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Related Compounds

(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
4-hydroxyheptacos-2-enoic acid
CID 88698148
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(17S)-10,17-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 90011466
(2E,4E,6E,8Z,10E)-8,14,15-trihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 146318706
6,35-dihydroxypentatriaconta-2,4-dienoic acid
CID 138677863
ethyl 14-hydroxydocosa-2,4,6,8,10,12-hexaenoate
CID 73432297
10-hydroperoxydocosa-2,4,6,8-tetraenoic acid
CID 169110902
(E)-4-hydroxydec-2-enal
CID 6439956
4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
CID 90059451

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The IUPAC name of (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid (CID 87235348) is (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid.
What is the SMILES notation for (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The canonical SMILES for (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid is CCCCCCCCC(O)/C=C/C=C/C=C/C(O)=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
The InChIKey is OBFAXIYGUQFVKH-KBVBUEMWSA-N. The full InChI is InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h7-9,11-14,16-20,23-24H,2-6,10,15H2,1H3,(H,25,26)/b8-7+,13-9+,16-11+,17-12+,19-14+,21-18-.
What are the key properties of (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid?
(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid has a molecular weight of 360.49 g/mol, XLogP of 5.41, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid is sourced from PubChem (CID 87235348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).