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

• ChemBase ID: 187574
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: C12(N3C[C@]4(C(=O)[C@](CN1C4)(C3)C)C)CC(OCC2)(C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCOC(C1)(C)C
• InChI: InChI=1S/C16H26N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3/t14-,15+,16?
• InChIKey: WQRVDNZVISFEBP-XYPWUTKMSA-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'-one
• 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'-one

Database IDs

• PubChem SID: 164243484
• PubChem CID: 818050

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.50626725
• LogD (pH = 7.4): 2.129002
• Log P: 2.4448328
• Molar Refractivity: 77.5407 cm^3
• Polarizability: 31.101234 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds