(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione

C15H20O3 — CID 130455178

IUPAC(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione
SMILESO=C1C/C=C/CCCC2C=CC(=O)C2COCC1
InChIInChI=1S/C15H20O3/c16-13-6-4-2-1-3-5-12-7-8-15(17)14(12)11-18-10-9-13/h2,4,7-8,12,14H,1,3,5-6,9-11H2/b4-2+
InChIKeyLZBSTPNJINFYFM-DUXPYHPUSA-N
MW248.32 g/mol
LogP2.46
Rot. Bonds

About (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione

(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione (PubChem CID 130455178) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione.

Molecular Properties

Compound Name(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione
PubChem CID130455178
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione
SMILESO=C1C/C=C/CCCC2C=CC(=O)C2COCC1
InChIInChI=1S/C15H20O3/c16-13-6-4-2-1-3-5-12-7-8-15(17)14(12)11-18-10-9-13/h2,4,7-8,12,14H,1,3,5-6,9-11H2/b4-2+
InChIKeyLZBSTPNJINFYFM-DUXPYHPUSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione?
The IUPAC name of (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione (CID 130455178) is (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione.
What is the SMILES notation for (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione?
The canonical SMILES for (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione is O=C1C/C=C/CCCC2C=CC(=O)C2COCC1.
What is the InChIKey of (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione?
The InChIKey is LZBSTPNJINFYFM-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H20O3/c16-13-6-4-2-1-3-5-12-7-8-15(17)14(12)11-18-10-9-13/h2,4,7-8,12,14H,1,3,5-6,9-11H2/b4-2+.
What are the key properties of (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione?
(8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione has a molecular weight of 248.32 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-oxabicyclo[11.3.0]hexadeca-8,14-diene-6,16-dione is sourced from PubChem (CID 130455178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).