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

• ChemBase ID: 181048
• Molecular Formular: C18H31NO
• Molecular Mass: 277.44484
• Monoisotopic Mass: 277.24056462
• SMILES: C12=C(CC(C(C3(NCCO3)C)(C1)C)C)CCCC2(C)C
• Canonical SMILES: CC1CC2=C(CC1(C)C1(C)NCCO1)C(CCC2)(C)C
• InChI: InChI=1S/C18H31NO/c1-13-11-14-7-6-8-16(2,3)15(14)12-17(13,4)18(5)19-9-10-20-18/h13,19H,6-12H2,1-5H3
• InChIKey: FQJQKNKQNJSHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236958
• PubChem CID: 23940694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96697235
• LogD (pH = 7.4): 2.288221
• Log P: 4.0791435
• Molar Refractivity: 84.3231 cm^3
• Polarizability: 33.69788 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds