(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione

C15H18O3 — CID 134830494

IUPAC(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione
SMILESCC1CC/C=C/C(=O)C2C3C=CC(C3)C2C(=O)O1
InChIInChI=1S/C15H18O3/c1-9-4-2-3-5-12(16)13-10-6-7-11(8-10)14(13)15(17)18-9/h3,5-7,9-11,13-14H,2,4,8H2,1H3/b5-3+
InChIKeyKYDOXUXGAKOFST-HWKANZROSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds

About (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione

(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione (PubChem CID 134830494) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione.

Molecular Properties

Compound Name(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione
PubChem CID134830494
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione
SMILESCC1CC/C=C/C(=O)C2C3C=CC(C3)C2C(=O)O1
InChIInChI=1S/C15H18O3/c1-9-4-2-3-5-12(16)13-10-6-7-11(8-10)14(13)15(17)18-9/h3,5-7,9-11,13-14H,2,4,8H2,1H3/b5-3+
InChIKeyKYDOXUXGAKOFST-HWKANZROSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
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)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione?
The IUPAC name of (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione (CID 134830494) is (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione.
What is the SMILES notation for (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione?
The canonical SMILES for (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione is CC1CC/C=C/C(=O)C2C3C=CC(C3)C2C(=O)O1.
What is the InChIKey of (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione?
The InChIKey is KYDOXUXGAKOFST-HWKANZROSA-N. The full InChI is InChI=1S/C15H18O3/c1-9-4-2-3-5-12(16)13-10-6-7-11(8-10)14(13)15(17)18-9/h3,5-7,9-11,13-14H,2,4,8H2,1H3/b5-3+.
What are the key properties of (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione?
(8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione has a molecular weight of 246.31 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-5-methyl-4-oxatricyclo[10.2.1.02,11]pentadeca-8,13-diene-3,10-dione is sourced from PubChem (CID 134830494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).