(1R,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan

• ChemBase ID: 305489
• Molecular Formular: C16H26O2
• Molecular Mass: 250.37644
• Monoisotopic Mass: 250.19328007
• SMILES: C1CC([C@H]2[C@](C1)([C@@H]1C(=CC2)CO[C@H]1OC)C)(C)C
• Canonical SMILES: CO[C@@H]1OCC2=CC[C@@H]3[C@]([C@@H]12)(C)CCCC3(C)C
• InChI: InChI=1S/C16H26O2/c1-15(2)8-5-9-16(3)12(15)7-6-11-10-18-14(17-4)13(11)16/h6,12-14H,5,7-10H2,1-4H3/t12-,13+,14+,16-/m0/s1
• InChIKey: ZRMYQEWJUHSZKS-NHIYQJMISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan
• IUPAC Traditional name: (1R,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-1H,3H,5H,5aH,7H,8H,9H,9bH-naphtho[1,2-c]furan
• Synonyms: Methyl isodrimeninol

Database IDs

• CAS Number: 442851-27-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.409193
• LogD (pH = 7.4): 3.409193
• Log P: 3.409193
• Molar Refractivity: 73.5016 cm^3
• Polarizability: 29.156656 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil