11-hydroxyicosa-1,19-dien-10-one

C20H36O2 — CID 10946786

IUPAC11-hydroxyicosa-1,19-dien-10-one
SMILESC=CCCCCCCCC(=O)C(O)CCCCCCCC=C
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h3-4,19,21H,1-2,5-18H2
InChIKeyKEDBAPQHFPWRHE-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.75
Rot. Bonds17

About 11-hydroxyicosa-1,19-dien-10-one

11-hydroxyicosa-1,19-dien-10-one (PubChem CID 10946786) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 11-hydroxyicosa-1,19-dien-10-one.

Molecular Properties

Compound Name11-hydroxyicosa-1,19-dien-10-one
PubChem CID10946786
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name11-hydroxyicosa-1,19-dien-10-one
SMILESC=CCCCCCCCC(=O)C(O)CCCCCCCC=C
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h3-4,19,21H,1-2,5-18H2
InChIKeyKEDBAPQHFPWRHE-UHFFFAOYSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
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'}

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxyicosa-1,19-dien-10-one?
The IUPAC name of 11-hydroxyicosa-1,19-dien-10-one (CID 10946786) is 11-hydroxyicosa-1,19-dien-10-one.
What is the SMILES notation for 11-hydroxyicosa-1,19-dien-10-one?
The canonical SMILES for 11-hydroxyicosa-1,19-dien-10-one is C=CCCCCCCCC(=O)C(O)CCCCCCCC=C.
What is the InChIKey of 11-hydroxyicosa-1,19-dien-10-one?
The InChIKey is KEDBAPQHFPWRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h3-4,19,21H,1-2,5-18H2.
What are the key properties of 11-hydroxyicosa-1,19-dien-10-one?
11-hydroxyicosa-1,19-dien-10-one has a molecular weight of 308.51 g/mol, XLogP of 5.75, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyicosa-1,19-dien-10-one is sourced from PubChem (CID 10946786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).