1,6-dioxaspiro[4.5]decan-2-ylmethanol

• ChemBase ID: 304614
• Molecular Formular: C9H16O3
• Molecular Mass: 172.22154
• Monoisotopic Mass: 172.10994437
• SMILES: C1(CCC2(O1)OCCCC2)CO
• Canonical SMILES: OCC1CCC2(O1)CCCCO2
• InChI: InChI=1S/C9H16O3/c10-7-8-3-5-9(12-8)4-1-2-6-11-9/h8,10H,1-7H2
• InChIKey: IFLBNNFVGHJPRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dioxaspiro[4.5]decan-2-ylmethanol
• IUPAC Traditional name: 1,6-dioxaspiro[4.5]decan-2-ylmethanol
• Synonyms: 1,6-Dioxaspiro[4.5]decan-2-methanol

Database IDs

• CAS Number: 83015-88-7

CALCULATED PROPERTIES

• Acid pKa: 14.670824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8061847
• LogD (pH = 7.4): 0.80618465
• Log P: 0.8061847
• Molar Refractivity: 44.7675 cm^3
• Polarizability: 17.882978 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil