(5's,7's)-5',6,6,7'-tetramethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.13,7]decane]-6'-ol

• ChemBase ID: 185377
• Molecular Formular: C16H28N2O2
• Molecular Mass: 280.40572
• Monoisotopic Mass: 280.21507815
• SMILES: C12(N3C[C@@]4(C([C@@](CN1C4)(C3)C)O)C)CC(OCC2)(C)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCOC(C1)(C)C
• InChI: InChI=1S/C16H28N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h12,19H,5-11H2,1-4H3/t12?,14-,15+,16?
• InChIKey: PDIXWXRVZLZMKD-PYCGDYPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-5',6,6,7'-tetramethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol
• IUPAC Traditional name: (5'S,7'R)-5',6,6,7'-tetramethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol

Database IDs

• PubChem SID: 164241287
• PubChem CID: 838942

CALCULATED PROPERTIES

• Acid pKa: 14.169684
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36065757
• LogD (pH = 7.4): 1.2360377
• Log P: 1.5252782
• Molar Refractivity: 78.1572 cm^3
• Polarizability: 31.647503 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds