(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid

C25H40O3 — CID 134916945

IUPAC(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCCCCCCO
InChIInChI=1S/C25H40O3/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h2-5,8-11,15,17,26H,1,6-7,12-14,16,18-24H2,(H,27,28)/b4-2+,5-3-,10-8+,11-9+,17-15+
InChIKeyNUWNDUIALUTWBL-MUNHXZRASA-N
MW388.59 g/mol
LogP6.92
Rot. Bonds19

About (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid

(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid (PubChem CID 134916945) has the molecular formula C25H40O3 and a molecular weight of 388.59 g/mol. Its IUPAC name is (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
PubChem CID134916945
Molecular FormulaC25H40O3
Molecular Weight388.59 g/mol
Exact Mass388.30
IUPAC Name(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCCCCCCO
InChIInChI=1S/C25H40O3/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h2-5,8-11,15,17,26H,1,6-7,12-14,16,18-24H2,(H,27,28)/b4-2+,5-3-,10-8+,11-9+,17-15+
InChIKeyNUWNDUIALUTWBL-MUNHXZRASA-N
XLogP6.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 56.92
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

(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
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
tetradeca-5,8-dienedioic acid
CID 54091580
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid?
The IUPAC name of (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid (CID 134916945) is (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid.
What is the SMILES notation for (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid?
The canonical SMILES for (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid is O=C(O)CCC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCCCCCCO.
What is the InChIKey of (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid?
The InChIKey is NUWNDUIALUTWBL-MUNHXZRASA-N. The full InChI is InChI=1S/C25H40O3/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h2-5,8-11,15,17,26H,1,6-7,12-14,16,18-24H2,(H,27,28)/b4-2+,5-3-,10-8+,11-9+,17-15+.
What are the key properties of (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid?
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid has a molecular weight of 388.59 g/mol, XLogP of 6.92, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid is sourced from PubChem (CID 134916945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).