(2S,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-yl acetate

• ChemBase ID: 181088
• Molecular Formular: C17H28O2
• Molecular Mass: 264.40302
• Monoisotopic Mass: 264.20893014
• SMILES: C123C(C(C([C@@](OC(=O)C)(CC2)C)C1)(C)C)CC[C@@H]3C
• Canonical SMILES: CC(=O)O[C@@]1(C)CCC23CC1C(C)(C)C2CC[C@@H]3C
• InChI: InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13?,14?,16-,17?/m0/s1
• InChIKey: HQKQRXZEXPXXIG-NEGPVFAYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236998
• PubChem CID: 16395127

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6326559
• LogD (pH = 7.4): 3.6326559
• Log P: 3.6326559
• Molar Refractivity: 75.678 cm^3
• Polarizability: 30.618216 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds