(1R,6S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-6-ol

• ChemBase ID: 182791
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: [C@@]123[C@](C([C@@H](C1)CC3)(C)C)(O)CCCC2(C)C
• Canonical SMILES: CC1(C)[C@@H]2CC[C@@]3([C@]1(O)CCCC3(C)C)C2
• InChI: InChI=1S/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3/t11-,14+,15-/m0/s1
• InChIKey: CCMWYZQSEJEAEY-GLQYFDAESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,6S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^1,^6]undecan-6-ol
• IUPAC Traditional name: (1R,6S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^1,^6]undecan-6-ol

Database IDs

• PubChem SID: 164238701
• PubChem CID: 1753956

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5163713
• LogD (pH = 7.4): 3.5163734
• Log P: 3.5163734
• Molar Refractivity: 66.145 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

• Description: 2 Conformers (1:1)
• Classification: Derivatives & analogs of Natural Compounds