(1R,2R,6S)-5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undecan-2-ol

• ChemBase ID: 180880
• Molecular Formular: C15H24O
• Molecular Mass: 220.35046
• Monoisotopic Mass: 220.18271539
• SMILES: [C@@]123[C@]4(C1CC(C4(C)C)C2)[C@@H](CCC3(C)C)O
• Canonical SMILES: O[C@@H]1CCC([C@@]23[C@@]41C2CC(C4(C)C)C3)(C)C
• InChI: InChI=1S/C15H24O/c1-12(2)6-5-11(16)15-10-7-9(13(15,3)4)8-14(10,12)15/h9-11,16H,5-8H2,1-4H3/t9?,10?,11-,14+,15-/m1/s1
• InChIKey: URRFLKHHGNPGCX-LCRKTHHPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,6S)-5,5,11,11-tetramethyltetracyclo[6.2.1.0^1,^6.0^6,^1^0]undecan-2-ol
• IUPAC Traditional name: (1R,2R,6S)-5,5,11,11-tetramethyltetracyclo[6.2.1.0^1,^6.0^6,^1^0]undecan-2-ol

Database IDs

• PubChem SID: 164236790
• PubChem CID: 16211877

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5231576
• LogD (pH = 7.4): 2.5231576
• Log P: 2.5231576
• Molar Refractivity: 64.3059 cm^3
• Polarizability: 26.066046 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds