11,15-dimethyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

• ChemBase ID: 186169
• Molecular Formular: C17H12O3
• Molecular Mass: 264.27538
• Monoisotopic Mass: 264.07864424
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)occ1C
• Canonical SMILES: Cc1coc2c1cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C17H12O3/c1-9-8-19-15-10(2)16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h3-8H,1-2H3
• InChIKey: JEMXRPRUIFJJAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11,15-dimethyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one
• IUPAC Traditional name: 11,15-dimethyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

Database IDs

• PubChem SID: 164242079
• PubChem CID: 707807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.111294
• LogD (pH = 7.4): 4.111294
• Log P: 4.111294
• Molar Refractivity: 75.8626 cm^3
• Polarizability: 31.063673 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds