Cas no 168400-03-1 (Phenol,4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]-)

Phenol,4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]- structure
168400-03-1 structure
Product Name:Phenol,4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]-
CAS No:168400-03-1
MF:C18H24O
MW:256.382565498352
CID:228703
Update Time:2024-03-01

Phenol,4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]-
    • Cyclobakuchiol A
    • Phenol,4-[5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]-, [1S-(1a,2b,5b)]-
    • Phenol, 4-[(1S,2S,5R)-5-ethenyl-5-methyl-2-(1-methylethenyl)cyclohexyl]-
    • Inchi: 1S/C18H24O/c1-5-18(4)11-10-16(13(2)3)17(12-18)14-6-8-15(19)9-7-14/h5-9,16-17,19H,1-2,10-12H2,3-4H3/t16-,17-,18-/m1/s1
    • InChI Key: DUTYKARAVUNUBK-KZNAEPCWSA-N
    • SMILES: C1(O)=CC=C([C@H]2C[C@@](C=C)(C)CC[C@@H]2C(C)=C)C=C1

Computed Properties

  • Exact Mass: 256.18282

Experimental Properties

  • Density: 1.009±0.06 g/cm3(Predicted)
  • Boiling Point: 363.3±42.0 °C(Predicted)
  • PSA: 20.23
  • pka: 10.21±0.30(Predicted)
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