(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid

C20H34O3 — CID 10268093

IUPAC(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid
SMILESCCCC/C=C\C/C=C\CC[C@H](O)C/C=C\CCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h5-6,8,10-11,14,19,21H,2-4,7,9,12-13,15-18H2,1H3,(H,22,23)/b6-5-,10-8-,14-11-/t19-/m0/s1
InChIKeyVMYMZVBNBHWBHE-HRGPVENRSA-N
MW322.49 g/mol
LogP5.41
Rot. Bonds15

About (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid

(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid (PubChem CID 10268093) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid.

Molecular Properties

Compound Name(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid
PubChem CID10268093
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid
SMILESCCCC/C=C\C/C=C\CC[C@H](O)C/C=C\CCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h5-6,8,10-11,14,19,21H,2-4,7,9,12-13,15-18H2,1H3,(H,22,23)/b6-5-,10-8-,14-11-/t19-/m0/s1
InChIKeyVMYMZVBNBHWBHE-HRGPVENRSA-N
XLogP5.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.41
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

15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171

Frequently Asked Questions

What is the IUPAC name of (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid?
The IUPAC name of (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid (CID 10268093) is (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid.
What is the SMILES notation for (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid?
The canonical SMILES for (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid is CCCC/C=C\C/C=C\CC[C@H](O)C/C=C\CCCCC(=O)O.
What is the InChIKey of (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid?
The InChIKey is VMYMZVBNBHWBHE-HRGPVENRSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h5-6,8,10-11,14,19,21H,2-4,7,9,12-13,15-18H2,1H3,(H,22,23)/b6-5-,10-8-,14-11-/t19-/m0/s1.
What are the key properties of (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid?
(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid has a molecular weight of 322.49 g/mol, XLogP of 5.41, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid is sourced from PubChem (CID 10268093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).