5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.0^{3,8}.0^{10,15}]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene

• ChemBase ID: 75050
• Molecular Formular: C27H30O6
• Molecular Mass: 450.5235
• Monoisotopic Mass: 450.20423868
• SMILES: O(c1c(cc2c(c1)Cc1c(cc(c(c1)OC)OC)Cc1cc(c(cc1C2)OC)OC)OC)C
• Canonical SMILES: COc1cc2Cc3cc(OC)c(cc3Cc3c(Cc2cc1OC)cc(OC)c(c3)OC)OC
• InChI: InChI=1S/C27H30O6/c1-28-22-10-16-7-18-12-24(30-3)26(32-5)14-20(18)9-21-15-27(33-6)25(31-4)13-19(21)8-17(16)11-23(22)29-2/h10-15H,7-9H2,1-6H3
• InChIKey: YECHEDVCXXVLIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.0^{3,8}.0^{10,15}]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
• IUPAC Traditional name: 5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.0^{3,8}.0^{10,15}]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
• Synonyms: Cyclotriveratrylene

Database IDs

• CAS Number: 1180-60-5
• MDL Number: MFCD00054477
• PubChem SID: 162039968
• PubChem CID: 273730

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.3293543
• LogD (pH = 7.4): 5.3293543
• Log P: 5.3293543
• Molar Refractivity: 127.9908 cm^3
• Polarizability: 49.181087 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false