3-hydroxyoctadeca-9,11-dienoic acid

C18H32O3 — CID 85139528

IUPAC3-hydroxyoctadeca-9,11-dienoic acid
SMILESCCCCCCC=CC=CCCCCCC(O)CC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h7-10,17,19H,2-6,11-16H2,1H3,(H,20,21)
InChIKeyIYQCNNKCGMGPGU-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.86
Rot. Bonds14

About 3-hydroxyoctadeca-9,11-dienoic acid

3-hydroxyoctadeca-9,11-dienoic acid (PubChem CID 85139528) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-hydroxyoctadeca-9,11-dienoic acid.

Molecular Properties

Compound Name3-hydroxyoctadeca-9,11-dienoic acid
PubChem CID85139528
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name3-hydroxyoctadeca-9,11-dienoic acid
SMILESCCCCCCC=CC=CCCCCCC(O)CC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h7-10,17,19H,2-6,11-16H2,1H3,(H,20,21)
InChIKeyIYQCNNKCGMGPGU-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoctadeca-9,11-dienoic acid?
The IUPAC name of 3-hydroxyoctadeca-9,11-dienoic acid (CID 85139528) is 3-hydroxyoctadeca-9,11-dienoic acid.
What is the SMILES notation for 3-hydroxyoctadeca-9,11-dienoic acid?
The canonical SMILES for 3-hydroxyoctadeca-9,11-dienoic acid is CCCCCCC=CC=CCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxyoctadeca-9,11-dienoic acid?
The InChIKey is IYQCNNKCGMGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h7-10,17,19H,2-6,11-16H2,1H3,(H,20,21).
What are the key properties of 3-hydroxyoctadeca-9,11-dienoic acid?
3-hydroxyoctadeca-9,11-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 3-hydroxyoctadeca-9,11-dienoic acid is sourced from PubChem (CID 85139528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).