(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid

C18H32O4 — CID 93233212

IUPAC(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid
SMILESCC[C@H](O)[C@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h6,8,12,14,16-17,19-20H,2-5,7,9-11,13,15H2,1H3,(H,21,22)/b8-6-,14-12-/t16-,17+/m0/s1
InChIKeyIQWYIIPDFISFMV-APRAABHFSA-N
MW312.45 g/mol
LogP3.83
Rot. Bonds14

About (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid

(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid (PubChem CID 93233212) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid.

Molecular Properties

Compound Name(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid
PubChem CID93233212
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid
SMILESCC[C@H](O)[C@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h6,8,12,14,16-17,19-20H,2-5,7,9-11,13,15H2,1H3,(H,21,22)/b8-6-,14-12-/t16-,17+/m0/s1
InChIKeyIQWYIIPDFISFMV-APRAABHFSA-N
XLogP3.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid with MolForge

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Related Compounds

(9Z,12E,15S,16R)-15,16-dihydroxyoctadeca-9,12-dienoic acid
CID 51659266
(5Z,8Z,11Z,13E,15E,17S,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
CID 56848782
(5Z,8Z,11Z,13E,15E,17R,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid
CID 56848721
(5Z,8Z,11Z,14R,15E,17R,18R)-14,17,18-trihydroxyicosa-5,8,11,15-tetraenoic acid
CID 171118583
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
17-methyloctadeca-6,9,12,15-tetraenoic acid
CID 173274279
(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
CID 171042985
(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521

Frequently Asked Questions

What is the IUPAC name of (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid?
The IUPAC name of (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid (CID 93233212) is (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid.
What is the SMILES notation for (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid?
The canonical SMILES for (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid is CC[C@H](O)[C@H](O)/C=C\C/C=C\CCCCCCCCC(=O)O.
What is the InChIKey of (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid?
The InChIKey is IQWYIIPDFISFMV-APRAABHFSA-N. The full InChI is InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h6,8,12,14,16-17,19-20H,2-5,7,9-11,13,15H2,1H3,(H,21,22)/b8-6-,14-12-/t16-,17+/m0/s1.
What are the key properties of (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid?
(10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid has a molecular weight of 312.45 g/mol, XLogP of 3.83, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,13Z,15R,16S)-15,16-dihydroxyoctadeca-10,13-dienoic acid is sourced from PubChem (CID 93233212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).