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

• ChemBase ID: 184140
• Molecular Formular: C12H20O2
• Molecular Mass: 196.286
• Monoisotopic Mass: 196.14632988
• SMILES: C12(C(C=C(CC1C)C)C)COCOC2
• Canonical SMILES: CC1=CC(C2(C(C1)C)COCOC2)C
• InChI: InChI=1S/C12H20O2/c1-9-4-10(2)12(11(3)5-9)6-13-8-14-7-12/h4,10-11H,5-8H2,1-3H3
• InChIKey: JYDWOSCGQPCWRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240050
• PubChem CID: 5142980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3732426
• LogD (pH = 7.4): 2.3732426
• Log P: 2.3732426
• Molar Refractivity: 57.0178 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