(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

• ChemBase ID: 128109
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: C1(=C)[C@]2(CCCC([C@@H]3[C@@H]1CC[C@@H]23)(C)C)C
• Canonical SMILES: C=C1[C@H]2CC[C@H]3[C@]1(C)CCCC([C@H]23)(C)C
• InChI: InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
• InChIKey: PDSNLYSELAIEBU-RGCMKSIDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^2,^9]undecane
• IUPAC Traditional name: longifolene
• Synonyms: Longifolene

Database IDs

• CAS Number: 475-20-7
• PubChem SID: 162222423
• PubChem CID: 5489258
• Chemspider ID: 1406720
• Wikipedia Title: Longifolene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.159092
• LogD (pH = 7.4): 4.159092
• Log P: 4.159092
• Molar Refractivity: 64.6219 cm^3
• Polarizability: 25.986029 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 254 °C (706 mm Hg)
• Density: 0.928 g/cm^3