4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphene]-10'-one

• ChemBase ID: 210723
• Molecular Formular: C21H24O3
• Molecular Mass: 324.41346
• Monoisotopic Mass: 324.17254463
• SMILES: c12c3c(oc(=O)c1CCCC2)cc1OC2(CCc1c3)CCCCC2
• Canonical SMILES: O=c1oc2cc3OC4(CCCCC4)CCc3cc2c2c1CCCC2
• InChI: InChI=1S/C21H24O3/c22-20-16-7-3-2-6-15(16)17-12-14-8-11-21(9-4-1-5-10-21)24-18(14)13-19(17)23-20/h12-13H,1-11H2
• InChIKey: QPFQBBHLYAYWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphene]-10'-one
• IUPAC Traditional name: 3',4',6',7',8',9'-hexahydro-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphene]-10'-one

Database IDs

• PubChem SID: 164266633
• PubChem CID: 1793853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9535413
• LogD (pH = 7.4): 4.9535413
• Log P: 4.9535413
• Molar Refractivity: 92.8651 cm^3
• Polarizability: 36.20557 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds