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

• ChemBase ID: 182119
• Molecular Formular: C12H20O2
• Molecular Mass: 196.286
• Monoisotopic Mass: 196.14632988
• SMILES: [C@]12(C(CC(=CC2)C)C)CO[C@H](OC1)C
• Canonical SMILES: C[C@@H]1OC[C@@]2(CO1)CC=C(CC2C)C
• InChI: InChI=1S/C12H20O2/c1-9-4-5-12(10(2)6-9)7-13-11(3)14-8-12/h4,10-11H,5-8H2,1-3H3/t10?,11-,12-
• InChIKey: IDESPEIRNJTAMU-YWRZDDHQSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238029
• PubChem CID: 3732384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3157566
• LogD (pH = 7.4): 2.3157566
• Log P: 2.3157566
• Molar Refractivity: 57.3115 cm^3
• Polarizability: 22.515493 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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