5,5,8,8-tetramethyl-11-oxa-10-azatricyclo[7.2.1.01,6]dodecane

• ChemBase ID: 184110
• Molecular Formular: C14H25NO
• Molecular Mass: 223.3544
• Monoisotopic Mass: 223.19361443
• SMILES: C123C(CC(C(NO1)C2)(C)C)C(CCC3)(C)C
• Canonical SMILES: CC1(C)CCCC23C1CC(C)(C)C(C3)NO2
• InChI: InChI=1S/C14H25NO/c1-12(2)6-5-7-14-9-11(15-16-14)13(3,4)8-10(12)14/h10-11,15H,5-9H2,1-4H3
• InChIKey: OPYNEUZSJRBYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,8,8-tetramethyl-11-oxa-10-azatricyclo[7.2.1.0^1,^6]dodecane
• IUPAC Traditional name: 5,5,8,8-tetramethyl-11-oxa-10-azatricyclo[7.2.1.0^1,^6]dodecane

Database IDs

• PubChem SID: 164240020
• PubChem CID: 3801815

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8276656
• LogD (pH = 7.4): 3.191113
• Log P: 3.19843
• Molar Refractivity: 75.3633 cm^3
• Polarizability: 26.553984 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds