(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid

C18H32O3 — CID 21158511

IUPAC(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
InChIKeyAFDSETGKYZMEEA-HZJYTTRNSA-N
MW296.45 g/mol
LogP4.86
Rot. Bonds14

About (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid

(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid (PubChem CID 21158511) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid.

Molecular Properties

Compound Name(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid
PubChem CID21158511
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
InChIKeyAFDSETGKYZMEEA-HZJYTTRNSA-N
XLogP4.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.86
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

Ricinoleic Acid
CID 643684
Monolinolein
CID 6436630
Glyceryl Monooleate
CID 5283468
Methyl Ricinoleate
CID 5354133
9(S)-Hode
CID 5312830
2-Oleoylglycerol
CID 5319879
Potassium Ricinoleate
CID 23716429
Glyceryl Ricinoleate
CID 6433266
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid
CID 5283147
2-Linoleoylglycerol
CID 5365676
1,3-Diolein
CID 5497165
1-Linolenoylglycerol
CID 5367328

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid?
The IUPAC name of (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid (CID 21158511) is (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid.
What is the SMILES notation for (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid?
The canonical SMILES for (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid is CCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O.
What is the InChIKey of (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid?
The InChIKey is AFDSETGKYZMEEA-HZJYTTRNSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid?
(9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid has a molecular weight of 296.45 g/mol, XLogP of 4.86, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid is sourced from PubChem (CID 21158511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).