(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid

C18H30O3 — CID 87227113

IUPAC(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
SMILESO=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,11,13,19H,3-4,6,8-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,13-11-
InChIKeyMYHBSGIXHQNKKA-QBSQDQRFSA-N
MW294.44 g/mol
LogP4.63
Rot. Bonds14

About (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid

(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid (PubChem CID 87227113) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid.

Molecular Properties

Compound Name(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
PubChem CID87227113
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
SMILESO=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,11,13,19H,3-4,6,8-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,13-11-
InChIKeyMYHBSGIXHQNKKA-QBSQDQRFSA-N
XLogP4.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.63
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'}

Analyze (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid with MolForge

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Related Compounds

(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(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
tetradeca-5,8-dienedioic acid
CID 54091580
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
ethane-1,2-diol;tris((9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid)
CID 158159466
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
15-hydroxypentadec-10-enoic acid
CID 165358734
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid?
The IUPAC name of (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid (CID 87227113) is (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid.
What is the SMILES notation for (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid?
The canonical SMILES for (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid is O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CCO.
What is the InChIKey of (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid?
The InChIKey is MYHBSGIXHQNKKA-QBSQDQRFSA-N. The full InChI is InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,11,13,19H,3-4,6,8-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,13-11-.
What are the key properties of (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid?
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid has a molecular weight of 294.44 g/mol, XLogP of 4.63, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid is sourced from PubChem (CID 87227113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).