(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one

C20H36O2 — CID 10990494

IUPAC(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one
SMILESCCC(O)CCCCC/C=C\C/C=C\CCCCCC(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/b7-5-,8-6-
InChIKeyMBJDIBMNNSZSEZ-SFECMWDFSA-N
MW308.51 g/mol
LogP5.75
Rot. Bonds15

About (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one

(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one (PubChem CID 10990494) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one.

Molecular Properties

Compound Name(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one
PubChem CID10990494
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one
SMILESCCC(O)CCCCC/C=C\C/C=C\CCCCCC(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/b7-5-,8-6-
InChIKeyMBJDIBMNNSZSEZ-SFECMWDFSA-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'}

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Related Compounds

11-hydroxytridecan-2-one
CID 11687152
(8Z,11Z)-pentadeca-8,11-dien-2-one
CID 25172308
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
CID 158497587
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
CID 87555668
hexadec-8-ene-2,15-dione
CID 91429732
(13Z,16Z)-3-hydroxydocosa-13,16-dien-5-one
CID 58736787
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(Z)-25,26,27-trihydroxyheptacos-11-en-2-one
CID 88782591
(E)-icos-10-en-2-one
CID 137410632
(E)-dotriacont-23-en-2-one
CID 5365248

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one?
The IUPAC name of (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one (CID 10990494) is (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one.
What is the SMILES notation for (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one?
The canonical SMILES for (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one is CCC(O)CCCCC/C=C\C/C=C\CCCCCC(C)=O.
What is the InChIKey of (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one?
The InChIKey is MBJDIBMNNSZSEZ-SFECMWDFSA-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/b7-5-,8-6-.
What are the key properties of (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one?
(8Z,11Z)-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 (8Z,11Z)-18-hydroxyicosa-8,11-dien-2-one is sourced from PubChem (CID 10990494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).