3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

• ChemBase ID: 188142
• Molecular Formular: C11H16O4
• Molecular Mass: 212.24234
• Monoisotopic Mass: 212.10485899
• SMILES: C12(C(=O)OC(C2)(C)C)C(=O)OC(C1)(C)C
• Canonical SMILES: O=C1OC(CC21CC(OC2=O)(C)C)(C)C
• InChI: InChI=1S/C11H16O4/c1-9(2)5-11(7(12)14-9)6-10(3,4)15-8(11)13/h5-6H2,1-4H3
• InChIKey: IONYILFUJPGGFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
• IUPAC Traditional name: 3,3,8,8-tetramethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

Database IDs

• PubChem SID: 164244052
• PubChem CID: 738282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.506909
• LogD (pH = 7.4): 1.506909
• Log P: 1.506909
• Molar Refractivity: 52.2523 cm^3
• Polarizability: 21.126787 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds