(6R)-8,8-dimethyl-2-(prop-2-yn-1-yl)-9-oxa-2-azaspiro[5.5]undecane hydrochloride

• ChemBase ID: 212393
• Molecular Formular: C14H24ClNO
• Molecular Mass: 257.79946
• Monoisotopic Mass: 257.15464207
• SMILES: C(#C)CN1C[C@]2(CC(OCC2)(C)C)CCC1.Cl
• Canonical SMILES: C#CCN1CCC[C@@]2(C1)CCOC(C2)(C)C.Cl
• InChI: InChI=1S/C14H23NO.ClH/c1-4-8-15-9-5-6-14(12-15)7-10-16-13(2,3)11-14;/h1H,5-12H2,2-3H3;1H/t14-;/m1./s1
• InChIKey: ZMJWJRARQCQCLH-PFEQFJNWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-8,8-dimethyl-2-(prop-2-yn-1-yl)-9-oxa-2-azaspiro[5.5]undecane hydrochloride
• IUPAC Traditional name: (6R)-8,8-dimethyl-2-(prop-2-yn-1-yl)-9-oxa-2-azaspiro[5.5]undecane hydrochloride

Database IDs

• PubChem SID: 164268303
• PubChem CID: 52994157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1781821
• LogD (pH = 7.4): 0.5092011
• Log P: 1.8862277
• Molar Refractivity: 67.1863 cm^3
• Polarizability: 26.186365 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds