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

• ChemBase ID: 184288
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: [C@@]123C(C([C@H](C1)[C@@](CC2)(O)C)(C)C)CC[C@H]3C
• Canonical SMILES: C[C@@H]1CCC2[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-CMUJWSKESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240198
• PubChem CID: 12302605

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

• Classification: Genuine Natural Compounds