(3r,6r)-9,11-dimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 181857
• Molecular Formular: C14H22O2
• Molecular Mass: 222.32328
• Monoisotopic Mass: 222.16197994
• SMILES: [C@]12(C(CC(=CC2)C)C)CO[C@H](OC1)/C=C/C
• Canonical SMILES: C/C=C/[C@@H]1OC[C@@]2(CO1)CC=C(CC2C)C
• InChI: InChI=1S/C14H22O2/c1-4-5-13-15-9-14(10-16-13)7-6-11(2)8-12(14)3/h4-6,12-13H,7-10H2,1-3H3/b5-4+/t12?,13-,14-
• InChIKey: VYOBDUXUSXZUEM-MDDWDILISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3r,6r)-9,11-dimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: (3r,6r)-9,11-dimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164237767
• PubChem CID: 5752317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4198856
• LogD (pH = 7.4): 3.4198856
• Log P: 3.4198856
• Molar Refractivity: 67.2335 cm^3
• Polarizability: 25.96261 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