(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol

• ChemBase ID: 294547
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: O[C@]1(C)CC[C@@]23[C@H](C)CC[C@H]2C(C)(C)[C@@H]1C3
• Canonical SMILES: C[C@@H]1CC[C@@H]2[C@]31CC[C@@]([C@@H](C3)C2(C)C)(C)O
• InChI: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15-/m1/s1
• InChIKey: SVURIXNDRWRAFU-BUONHZGMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^1,^5]undecan-8-ol
• IUPAC Traditional name: (1R,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^1,^5]undecan-8-ol
• Synonyms: (+)-Cedrol

Database IDs

• CAS Number: 77-53-2
• MDL Number: MFCD00062952
• PubChem SID: 180680078
• PubChem CID: 12302603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1915302
• LogD (pH = 7.4): 3.1915305
• Log P: 3.1915305
• Molar Refractivity: 66.5265 cm^3
• Polarizability: 26.800741 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%