7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 184302
• Molecular Formular: C20H28O2
• Molecular Mass: 300.43512
• Monoisotopic Mass: 300.20893014
• SMILES: C12(C(C=C(CC1C)C)C)COC(OC2)CCc1ccccc1
• Canonical SMILES: CC1=CC(C2(C(C1)C)COC(OC2)CCc1ccccc1)C
• InChI: InChI=1S/C20H28O2/c1-15-11-16(2)20(17(3)12-15)13-21-19(22-14-20)10-9-18-7-5-4-6-8-18/h4-8,11,16-17,19H,9-10,12-14H2,1-3H3
• InChIKey: AJGPBQYWOGYCGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164240212
• PubChem CID: 2855152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8180213
• LogD (pH = 7.4): 4.8180213
• Log P: 4.8180213
• Molar Refractivity: 91.0249 cm^3
• Polarizability: 35.74176 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds