18-hydroxyicosa-8,11-dien-2-one

C20H36O2 — CID 85358000

IUPAC18-hydroxyicosa-8,11-dien-2-one
SMILESCCC(O)CCCCCC=CCC=CCCCCCC(C)=O
InChIInChI=1S/C20H36O2/c1-3-20(22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(2)21/h5-8,20,22H,3-4,9-18H2,1-2H3
InChIKeyMBJDIBMNNSZSEZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.75
Rot. Bonds15

About 18-hydroxyicosa-8,11-dien-2-one

18-hydroxyicosa-8,11-dien-2-one (PubChem CID 85358000) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 18-hydroxyicosa-8,11-dien-2-one.

Molecular Properties

Compound Name18-hydroxyicosa-8,11-dien-2-one
PubChem CID85358000
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name18-hydroxyicosa-8,11-dien-2-one
SMILESCCC(O)CCCCCC=CCC=CCCCCCC(C)=O
InChIInChI=1S/C20H36O2/c1-3-20(22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(2)21/h5-8,20,22H,3-4,9-18H2,1-2H3
InChIKeyMBJDIBMNNSZSEZ-UHFFFAOYSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
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 18-hydroxyicosa-8,11-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 18-hydroxyicosa-8,11-dien-2-one?
The IUPAC name of 18-hydroxyicosa-8,11-dien-2-one (CID 85358000) is 18-hydroxyicosa-8,11-dien-2-one.
What is the SMILES notation for 18-hydroxyicosa-8,11-dien-2-one?
The canonical SMILES for 18-hydroxyicosa-8,11-dien-2-one is CCC(O)CCCCCC=CCC=CCCCCCC(C)=O.
What is the InChIKey of 18-hydroxyicosa-8,11-dien-2-one?
The InChIKey is MBJDIBMNNSZSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-20(22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(2)21/h5-8,20,22H,3-4,9-18H2,1-2H3.
What are the key properties of 18-hydroxyicosa-8,11-dien-2-one?
18-hydroxyicosa-8,11-dien-2-one has a molecular weight of 308.51 g/mol, XLogP of 5.75, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxyicosa-8,11-dien-2-one is sourced from PubChem (CID 85358000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).