1-oxaspiro[4.5]decan-8-one

• ChemBase ID: 309512
• Molecular Formular: C9H14O2
• Molecular Mass: 154.20626
• Monoisotopic Mass: 154.09937969
• SMILES: C12(OCCC2)CCC(=O)CC1
• Canonical SMILES: O=C1CCC2(CC1)CCCO2
• InChI: InChI=1S/C9H14O2/c10-8-2-5-9(6-3-8)4-1-7-11-9/h1-7H2
• InChIKey: RPABADYMEMUBEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[4.5]decan-8-one
• IUPAC Traditional name: 1-oxaspiro[4.5]decan-8-one
• Synonyms: 1-oxaspiro[4.5]decan-8-one

Database IDs

• CAS Number: 87151-60-8
• MDL Number: MFCD09759212

CALCULATED PROPERTIES

• Molar Refractivity: 42.0987 cm^3
• Polarizability: 16.619864 Å^3
• Polar Surface Area: 26.3 Å^2
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0741684
• LogD (pH = 7.4): 1.0741684
• Log P: 1.0741684