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

• ChemBase ID: 183191
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: [C@]12(C(C=C(CC2C)C)C)CO[C@@H](OC1)C(C)C
• Canonical SMILES: CC1=CC([C@@]2(C(C1)C)CO[C@H](OC2)C(C)C)C
• InChI: InChI=1S/C15H26O2/c1-10(2)14-16-8-15(9-17-14)12(4)6-11(3)7-13(15)5/h6,10,12-14H,7-9H2,1-5H3/t12?,13?,14-,15-
• InChIKey: GKZOSXMXUANXRV-LTDGRNPRSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239101
• PubChem CID: 3638971

CALCULATED PROPERTIES

• Molar Refractivity: 70.7453 cm^3
• Polarizability: 28.045397 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7189722
• LogD (pH = 7.4): 3.7189722
• Log P: 3.7189722

PROPERTIES

Product Information

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