(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid

C28H52O3 — CID 18981442

IUPAC(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
SMILESO=C(O)CCCCCCCCCCCC/C=C/C/C=C/CCCCCCCCCCO
InChIInChI=1S/C28H52O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h1-2,5,7,29H,3-4,6,8-27H2,(H,30,31)/b2-1+,7-5+
InChIKeyWXQHSGGJEJEINA-SMMBBOSVSA-N
MW436.72 g/mol
LogP8.76
Rot. Bonds25

About (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid

(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid (PubChem CID 18981442) has the molecular formula C28H52O3 and a molecular weight of 436.72 g/mol. Its IUPAC name is (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid.

Molecular Properties

Compound Name(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
PubChem CID18981442
Molecular FormulaC28H52O3
Molecular Weight436.72 g/mol
Exact Mass436.39
IUPAC Name(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
SMILESO=C(O)CCCCCCCCCCCC/C=C/C/C=C/CCCCCCCCCCO
InChIInChI=1S/C28H52O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h1-2,5,7,29H,3-4,6,8-27H2,(H,30,31)/b2-1+,7-5+
InChIKeyWXQHSGGJEJEINA-SMMBBOSVSA-N
XLogP8.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 58.76
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

(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
(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 (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid?
The IUPAC name of (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid (CID 18981442) is (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid.
What is the SMILES notation for (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid?
The canonical SMILES for (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid is O=C(O)CCCCCCCCCCCC/C=C/C/C=C/CCCCCCCCCCO.
What is the InChIKey of (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid?
The InChIKey is WXQHSGGJEJEINA-SMMBBOSVSA-N. The full InChI is InChI=1S/C28H52O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h1-2,5,7,29H,3-4,6,8-27H2,(H,30,31)/b2-1+,7-5+.
What are the key properties of (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid?
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid has a molecular weight of 436.72 g/mol, XLogP of 8.76, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid is sourced from PubChem (CID 18981442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).