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

• ChemBase ID: 183947
• Molecular Formular: C14H22O2
• Molecular Mass: 222.32328
• Monoisotopic Mass: 222.16197994
• SMILES: C12(C(C=C(CC1C)C)C)COC(OC2)C=C
• Canonical SMILES: C=CC1OCC2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C14H22O2/c1-5-13-15-8-14(9-16-13)11(3)6-10(2)7-12(14)4/h5-6,11-13H,1,7-9H2,2-4H3
• InChIKey: ZVPWCBCLANWHRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239857
• PubChem CID: 3608643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3202696
• LogD (pH = 7.4): 3.3202696
• Log P: 3.3202696
• Molar Refractivity: 66.1086 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: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds