(3R,5S)-1,6-bis(4-methoxyphenyl)dispiro[2.1.25.33]decan-4-one

• ChemBase ID: 181992
• Molecular Formular: C24H26O3
• Molecular Mass: 362.46144
• Monoisotopic Mass: 362.18819469
• SMILES: [C@]12(C(=O)[C@]3(C(C3)c3ccc(cc3)OC)CCC2)C(C1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1C[C@@]21CCC[C@]1(C2=O)CC1c1ccc(cc1)OC
• InChI: InChI=1S/C24H26O3/c1-26-18-8-4-16(5-9-18)20-14-23(20)12-3-13-24(22(23)25)15-21(24)17-6-10-19(27-2)11-7-17/h4-11,20-21H,3,12-15H2,1-2H3/t20?,21?,23-,24+
• InChIKey: POPRWUSLIHMTDH-OPVDJQKYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,5S)-1,6-bis(4-methoxyphenyl)dispiro[2.1.2^5.3^3]decan-4-one
• IUPAC Traditional name: (3R,5S)-1,6-bis(4-methoxyphenyl)dispiro[2.1.2^5.3^3]decan-4-one

Database IDs

• PubChem SID: 164237902
• PubChem CID: 16395333

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.285047
• LogD (pH = 7.4): 5.285047
• Log P: 5.285047
• Molar Refractivity: 105.0076 cm^3
• Polarizability: 41.263287 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds