8-phenyl-1,4-dioxaspiro[4.5]decane

• ChemBase ID: 811869
• Molecular Formular: C14H18O2
• Molecular Mass: 218.29152
• Monoisotopic Mass: 218.13067982
• SMILES: O1CCOC21CCC(CC2)c1ccccc1
• Canonical SMILES: C1COC2(O1)CCC(CC2)c1ccccc1
• InChI: InChI=1S/C14H18O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
• InChIKey: PSNYNMATNZGQSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-phenyl-1,4-dioxaspiro[4.5]decane
• IUPAC Traditional name: 8-phenyl-1,4-dioxaspiro[4.5]decane
• Synonyms: 8-PHENYL-1,4-DIOXASPIRO[4,5]DECANE

Database IDs

• CAS Number: 25163-93-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1691575
• LogD (pH = 7.4): 3.1691575
• Log P: 3.1691575
• Molar Refractivity: 63.1406 cm^3
• Polarizability: 24.910477 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%