11,14,15-trimethyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one

• ChemBase ID: 186557
• Molecular Formular: C18H18O3
• Molecular Mass: 282.33372
• Monoisotopic Mass: 282.12559444
• SMILES: c12c(c3c(c(=O)o1)CCCC3)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=c1oc2c(c3c1CCCC3)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C18H18O3/c1-9-11(3)20-16-10(2)17-15(8-14(9)16)12-6-4-5-7-13(12)18(19)21-17/h8H,4-7H2,1-3H3
• InChIKey: NDGOZESCJJKBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11,14,15-trimethyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one
• IUPAC Traditional name: 11,14,15-trimethyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one

Database IDs

• PubChem SID: 164242467
• PubChem CID: 707724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2892437
• LogD (pH = 7.4): 4.2892437
• Log P: 4.2892437
• Molar Refractivity: 81.6607 cm^3
• Polarizability: 32.007595 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