(3r,6r)-9,11-dimethyl-3-(propan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 180893
• Molecular Formular: C14H24O2
• Molecular Mass: 224.33916
• Monoisotopic Mass: 224.17763001
• SMILES: [C@@]12(C(CC(=CC2)C)C)CO[C@@H](OC1)C(C)C
• Canonical SMILES: CC1=CC[C@]2(C(C1)C)CO[C@@H](OC2)C(C)C
• InChI: InChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3/t12?,13-,14-
• InChIKey: ZBZWIPSRQJXTNJ-KAOCOCSGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3r,6r)-9,11-dimethyl-3-(propan-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: (3r,6r)-3-isopropyl-9,11-dimethyl-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164236803
• PubChem CID: 3540232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4319532
• LogD (pH = 7.4): 3.4319532
• Log P: 3.4319532
• Molar Refractivity: 66.1967 cm^3
• Polarizability: 26.201612 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds