(11E,14E)-22-hydroxydocosa-11,14-dienoic acid

C22H40O3 — CID 18981383

IUPAC(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
SMILESO=C(O)CCCCCCCCC/C=C/C/C=C/CCCCCCCO
InChIInChI=1S/C22H40O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h1-2,5,7,23H,3-4,6,8-21H2,(H,24,25)/b2-1+,7-5+
InChIKeyRQHLAKOFYHBSPF-SMMBBOSVSA-N
MW352.56 g/mol
LogP6.42
Rot. Bonds19

About (11E,14E)-22-hydroxydocosa-11,14-dienoic acid

(11E,14E)-22-hydroxydocosa-11,14-dienoic acid (PubChem CID 18981383) has the molecular formula C22H40O3 and a molecular weight of 352.56 g/mol. Its IUPAC name is (11E,14E)-22-hydroxydocosa-11,14-dienoic acid.

Molecular Properties

Compound Name(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
PubChem CID18981383
Molecular FormulaC22H40O3
Molecular Weight352.56 g/mol
Exact Mass352.30
IUPAC Name(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
SMILESO=C(O)CCCCCCCCC/C=C/C/C=C/CCCCCCCO
InChIInChI=1S/C22H40O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h1-2,5,7,23H,3-4,6,8-21H2,(H,24,25)/b2-1+,7-5+
InChIKeyRQHLAKOFYHBSPF-SMMBBOSVSA-N
XLogP6.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(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
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
CID 87227113
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
tetradeca-5,8-dienedioic acid
CID 54091580

Frequently Asked Questions

What is the IUPAC name of (11E,14E)-22-hydroxydocosa-11,14-dienoic acid?
The IUPAC name of (11E,14E)-22-hydroxydocosa-11,14-dienoic acid (CID 18981383) is (11E,14E)-22-hydroxydocosa-11,14-dienoic acid.
What is the SMILES notation for (11E,14E)-22-hydroxydocosa-11,14-dienoic acid?
The canonical SMILES for (11E,14E)-22-hydroxydocosa-11,14-dienoic acid is O=C(O)CCCCCCCCC/C=C/C/C=C/CCCCCCCO.
What is the InChIKey of (11E,14E)-22-hydroxydocosa-11,14-dienoic acid?
The InChIKey is RQHLAKOFYHBSPF-SMMBBOSVSA-N. The full InChI is InChI=1S/C22H40O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h1-2,5,7,23H,3-4,6,8-21H2,(H,24,25)/b2-1+,7-5+.
What are the key properties of (11E,14E)-22-hydroxydocosa-11,14-dienoic acid?
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid has a molecular weight of 352.56 g/mol, XLogP of 6.42, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,14E)-22-hydroxydocosa-11,14-dienoic acid is sourced from PubChem (CID 18981383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).