Cas no 85048-01-7 (1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)-)

1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)- structure
85048-01-7 structure
Product Name:1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)-
CAS No:85048-01-7
MF:C15H24
MW:204.351064682007
CID:726092
PubChem ID:21595261
Update Time:2024-03-01

1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)-
    • (1aalpha,4aalpha,7alpha,7abeta,7balpha)-(-)-1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
    • (1aR,4aR,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
    • (-)-dehydroaromadendrane
    • (-)-1aα,2,4aα,5,6,7,7aβ,7bα-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
    • [1aR,(-)]-1aβ,2,4aβ,5,6,7,7aα,7bβ-Octahydro-1,1,4,7β-tetramethyl-1H-cycloprop[e]azulene
    • [1aR,(-)]-1aβ,2,4aβ,5,6,7,7aα,7bβ-Octahydro-1,1,4,7β-tetramethyl-1H-cyclopropa[e]azulene
    • (1Aalpha,4aalpha,7alpha,7abeta,7balpha)-(-)-1A,2,4A,5,6,7,7A,7B-octahydro-1,1,4,7-tetramethyl-1H-cycloprop(E)azulene
    • Einecs 285-194-7
    • 1H-Cycloprop[e]azulene, 1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)-
    • Inchi： 1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1
    • InChI Key： DJAYTQZJAJXFDU-XVIXHAIJSA-N
    • SMILES： C1[C@]2([H])[C@]([H])([C@]3([H])C(C)(C)[C@]3([H])CC=C2C)[C@H](C)C1

Computed Properties

  • Exact Mass: 204.187800766g/mol
  • Monoisotopic Mass: 204.187800766g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.9
  • Boiling Point: 257.5°C at 760 mmHg
  • Flash Point: 106.7°C
  • Refractive Index: 1.486

1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)- Related Literature

Related Categories

85048-01-7 (1H-Cycloprop[e]azulene,1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4aR,7R,7aR,7bS)-) Related Products

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