(14Z)-14-(ethoxymethylidene)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,5,7,9-tetraene-4,13-dione

• ChemBase ID: 184534
• Molecular Formular: C17H16O5
• Molecular Mass: 300.30594
• Monoisotopic Mass: 300.09977361
• SMILES: C\1(=C\OCC)/c2c3oc(=O)ccc3ccc2OC(C1=O)(C)C
• Canonical SMILES: CCO/C=C\1/c2c(ccc3c2oc(=O)cc3)OC(C1=O)(C)C
• InChI: InChI=1S/C17H16O5/c1-4-20-9-11-14-12(22-17(2,3)16(11)19)7-5-10-6-8-13(18)21-15(10)14/h5-9H,4H2,1-3H3/b11-9-
• InChIKey: CSFNFMQISMHFGR-LUAWRHEFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (14Z)-14-(ethoxymethylidene)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,5,7,9-tetraene-4,13-dione
• IUPAC Traditional name: (14Z)-14-(ethoxymethylidene)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,5,7,9-tetraene-4,13-dione

Database IDs

• PubChem SID: 164240444
• PubChem CID: 1779316

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.765185
• LogD (pH = 7.4): 2.765185
• Log P: 2.765185
• Molar Refractivity: 81.374 cm^3
• Polarizability: 30.987206 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds