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

• ChemBase ID: 181977
• Molecular Formular: C13H22O2
• Molecular Mass: 210.31258
• Monoisotopic Mass: 210.16197994
• SMILES: [C@@]12(C(C=C(CC1C)C)C)CO[C@@H](OC2)C
• Canonical SMILES: C[C@@H]1OC[C@]2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C13H22O2/c1-9-5-10(2)13(11(3)6-9)7-14-12(4)15-8-13/h5,10-12H,6-8H2,1-4H3/t10?,11?,12-,13-
• InChIKey: BAYLCXARJZNKOL-VNOJIWKOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237887
• PubChem CID: 3749294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6027756
• LogD (pH = 7.4): 2.6027756
• Log P: 2.6027756
• Molar Refractivity: 61.8601 cm^3
• Polarizability: 24.358278 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds