1,9-dioxaspiro[5.5]undecan-4-one

• ChemBase ID: 309175
• Molecular Formular: C9H14O3
• Molecular Mass: 170.20566
• Monoisotopic Mass: 170.09429431
• SMILES: C12(CC(=O)CCO1)CCOCC2
• Canonical SMILES: O=C1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C9H14O3/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h1-7H2
• InChIKey: KJJVDZGTYFEALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dioxaspiro[5.5]undecan-4-one
• IUPAC Traditional name: 1,9-dioxaspiro[5.5]undecan-4-one
• Synonyms: 1,9-dioxaspiro[5.5]undecan-4-one

Database IDs

• MDL Number: MFCD19651145

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.007532429
• LogD (pH = 7.4): -0.0075324285
• Log P: -0.0075324285
• Molar Refractivity: 43.853 cm^3
• Polarizability: 17.342642 Å^3
• Polar Surface Area: 35.53 Å^2