7,9,11-trimethyl-3-(prop-1-en-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 181908
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: C12(C(C=C(CC2C)C)C)COC(OC1)C(=C)C
• Canonical SMILES: CC1=CC(C2(C(C1)C)COC(OC2)C(=C)C)C
• InChI: InChI=1S/C15H24O2/c1-10(2)14-16-8-15(9-17-14)12(4)6-11(3)7-13(15)5/h6,12-14H,1,7-9H2,2-5H3
• InChIKey: DAGLQUMYAOZWKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,11-trimethyl-3-(prop-1-en-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: 7,9,11-trimethyl-3-(prop-1-en-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164237818
• PubChem CID: 3110816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5636308
• LogD (pH = 7.4): 3.5636308
• Log P: 3.5636308
• Molar Refractivity: 70.3906 cm^3
• Polarizability: 27.806887 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds