(3s,6r)-7,9,11-trimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 183465
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: [C@]12(C(C=C(CC1C)C)C)CO[C@H](OC2)/C=C/C
• Canonical SMILES: C/C=C/[C@@H]1OC[C@]2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C15H24O2/c1-5-6-14-16-9-15(10-17-14)12(3)7-11(2)8-13(15)4/h5-7,12-14H,8-10H2,1-4H3/b6-5+/t12?,13?,14-,15-
• InChIKey: NEZLZRKZTZDSAT-SDHJGSEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3s,6r)-7,9,11-trimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: (3s,6r)-7,9,11-trimethyl-3-[(1E)-prop-1-en-1-yl]-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164239375
• PubChem CID: 6078963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7069046
• LogD (pH = 7.4): 3.7069046
• Log P: 3.7069046
• Molar Refractivity: 71.7821 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

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