(8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

• ChemBase ID: 798426
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: C1C=C2C3(C(C1)(C)C)CC[C@H](C2(C)C)C3
• Canonical SMILES: CC1(C)[C@H]2CCC3(C1=CCCC3(C)C)C2
• InChI: InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15?/m0/s1
• InChIKey: CQUAYTJDLQBXCQ-VPHXOMNUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^1,^6]undec-5-ene
• IUPAC Traditional name: (8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^1,^6]undec-5-ene
• Synonyms: (2s)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4a-methanoNaphthalene

Database IDs

• CAS Number: 1135-66-6

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1141863
• LogD (pH = 7.4): 4.1141863
• Log P: 4.1141863
• Molar Refractivity: 65.6209 cm^3
• Polarizability: 25.986029 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%