(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid

C18H30O3 — CID 10708957

IUPAC(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid
SMILESCC(O)/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-
InChIKeyPSQSSLVXOIJSMX-XAFOFORCSA-N
MW294.44 g/mol
LogP4.63
Rot. Bonds13

About (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid

(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid (PubChem CID 10708957) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid.

Molecular Properties

Compound Name(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid
PubChem CID10708957
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid
SMILESCC(O)/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-
InChIKeyPSQSSLVXOIJSMX-XAFOFORCSA-N
XLogP4.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
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'}

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Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid?
The IUPAC name of (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid (CID 10708957) is (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid.
What is the SMILES notation for (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid?
The canonical SMILES for (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid is CC(O)/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid?
The InChIKey is PSQSSLVXOIJSMX-XAFOFORCSA-N. The full InChI is InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-.
What are the key properties of (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid?
(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid has a molecular weight of 294.44 g/mol, XLogP of 4.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid is sourced from PubChem (CID 10708957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).