2-methyl-2-[(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl]-1,3-oxazolidine

• ChemBase ID: 181898
• Molecular Formular: C19H33NO
• Molecular Mass: 291.47142
• Monoisotopic Mass: 291.25621468
• SMILES: C12=C(CC(C(C1)(C)C)CC1(NCCO1)C)CCCC2(C)C
• Canonical SMILES: CC1(NCCO1)CC1CC2=C(CC1(C)C)C(CCC2)(C)C
• InChI: InChI=1S/C19H33NO/c1-17(2)8-6-7-14-11-15(18(3,4)13-16(14)17)12-19(5)20-9-10-21-19/h15,20H,6-13H2,1-5H3
• InChIKey: ZKODVQKHCBTANH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-[(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl]-1,3-oxazolidine
• IUPAC Traditional name: 2-methyl-2-[(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)methyl]-1,3-oxazolidine

Database IDs

• PubChem SID: 164237808
• PubChem CID: 3581564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0587779
• LogD (pH = 7.4): 2.4548259
• Log P: 4.1391034
• Molar Refractivity: 89.1885 cm^3
• Polarizability: 35.54369 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds