(1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol

• ChemBase ID: 304808
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: [C@H]12[C@]3([C@H](CC2(C)C)O)CC[C@H]([C@](CC1)(C3)C)O
• Canonical SMILES: O[C@H]1CC([C@H]2[C@]31CC[C@H]([C@](C3)(C)CC2)O)(C)C
• InChI: InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1
• InChIKey: BWXJQHJHGMZLBT-OEMOEHNSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.0^1,^5]dodecane-2,9-diol
• IUPAC Traditional name: clovane-2β,9α-diol
• Synonyms: Clovanediol

Database IDs

• CAS Number: 2649-64-1

CALCULATED PROPERTIES

• Acid pKa: 19.438944
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2156928
• LogD (pH = 7.4): 2.2156932
• Log P: 2.2156932
• Molar Refractivity: 67.8543 cm^3
• Polarizability: 27.407438 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder