3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

• ChemBase ID: 182858
• Molecular Formular: C23H28O8
• Molecular Mass: 432.46362
• Monoisotopic Mass: 432.17841786
• SMILES: c1(C2OCC3(CO2)COC(c2c(cc(cc2)OC)OC)OC3)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C1OCC2(CO1)COC(OC2)c1ccc(cc1OC)OC
• InChI: InChI=1S/C23H28O8/c1-24-15-5-7-17(19(9-15)26-3)21-28-11-23(12-29-21)13-30-22(31-14-23)18-8-6-16(25-2)10-20(18)27-4/h5-10,21-22H,11-14H2,1-4H3
• InChIKey: RMIBEETXTLLULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• IUPAC Traditional name: 3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Database IDs

• PubChem SID: 164238768
• PubChem CID: 1760714

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.960887
• LogD (pH = 7.4): 2.960887
• Log P: 2.960887
• Molar Refractivity: 111.3477 cm^3
• Polarizability: 44.23476 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds