(2S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene

• ChemBase ID: 84008
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: CC1(C2C3(CC1C(=CC3)C)[C@H](CC2)C)C
• Canonical SMILES: CC1=CCC23CC1C(C)(C)C2CC[C@@H]3C
• InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15?/m0/s1
• InChIKey: IRAQOCYXUMOFCW-PXWWDBQQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene
• IUPAC Traditional name: (2S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene
• Synonyms: 2,6,6,8-tetramethyltricyclo[5.3.1.0~1,5~]undec-8-ene

Database IDs

• CAS Number: 19069-48-8
• MDL Number: MFCD00180694
• PubChem SID: 162071124
• PubChem CID: 44118994

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.101158
• LogD (pH = 7.4): 4.101158
• Log P: 4.101158
• Molar Refractivity: 65.6944 cm^3
• Polarizability: 25.986029 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true