(E)-8-hydroxyicos-5-enoic acid

C20H38O3 — CID 14748256

IUPAC(E)-8-hydroxyicos-5-enoic acid
SMILESCCCCCCCCCCCCC(O)C/C=C/CCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11+
InChIKeyKATBJMBVZZMJMM-SDNWHVSQSA-N
MW326.52 g/mol
LogP5.86
Rot. Bonds17

About (E)-8-hydroxyicos-5-enoic acid

(E)-8-hydroxyicos-5-enoic acid (PubChem CID 14748256) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (E)-8-hydroxyicos-5-enoic acid.

Molecular Properties

Compound Name(E)-8-hydroxyicos-5-enoic acid
PubChem CID14748256
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(E)-8-hydroxyicos-5-enoic acid
SMILESCCCCCCCCCCCCC(O)C/C=C/CCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11+
InChIKeyKATBJMBVZZMJMM-SDNWHVSQSA-N
XLogP5.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.86
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

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid
CID 87091224
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
7-hydroxytridec-4-enoic acid
CID 162699563
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960

Frequently Asked Questions

What is the IUPAC name of (E)-8-hydroxyicos-5-enoic acid?
The IUPAC name of (E)-8-hydroxyicos-5-enoic acid (CID 14748256) is (E)-8-hydroxyicos-5-enoic acid.
What is the SMILES notation for (E)-8-hydroxyicos-5-enoic acid?
The canonical SMILES for (E)-8-hydroxyicos-5-enoic acid is CCCCCCCCCCCCC(O)C/C=C/CCCC(=O)O.
What is the InChIKey of (E)-8-hydroxyicos-5-enoic acid?
The InChIKey is KATBJMBVZZMJMM-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11+.
What are the key properties of (E)-8-hydroxyicos-5-enoic acid?
(E)-8-hydroxyicos-5-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.86, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-hydroxyicos-5-enoic acid is sourced from PubChem (CID 14748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).