(1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene

• ChemBase ID: 127887
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: CC1=C[C@]2(C)CCC[C@]32[C@H](C)CC[C@@]13C
• Canonical SMILES: CC1=C[C@]2([C@@]3([C@@]1(C)CC[C@H]3C)CCC2)C
• InChI: InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m1/s1
• InChIKey: SAOJPWFHRMUCFN-UQOMUDLDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.0^1,^5]undec-6-ene
• IUPAC Traditional name: isocomene
• Synonyms: Isocomene

Database IDs

• PubChem SID: 162222204
• PubChem CID: 57501472; 188113
• Wikipedia Title: Isocomene

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