Cas no 50764-55-1 (Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)-)

Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)- structure
50764-55-1 structure
Product Name:Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)-
CAS No:50764-55-1
MF:C12H20O3
MW:212.285404205322
CID:364102
PubChem ID:71366452
Update Time:2025-04-19

Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)-
    • Acetic acid [1S,(+)]-2,7,7-trimethyl-1α,5α-methano-2-cyclohexen-6β-yl ester
    • acetic acid,(1R,5S,7R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-ol
    • Bicyclo[3.1.1]hept-2-en-6-ol
    • (+)-trans-Chrysanthenyl acetate
    • trans-Chrisanthenyl acetate
    • trans-Chrysanthenyl acetate
    • 50764-55-1
    • DTXSID50789813
    • Acetic acid--(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol (1/1)
    • Inchi： 1S/C10H16O.C2H4O2/c1-6-4-5-7-9(11)8(6)10(7,2)3;1-2(3)4/h4,7-9,11H,5H2,1-3H3;1H3,(H,3,4)/t7-,8+,9+;/m0./s1
    • InChI Key： VLHQXRFUXGPYFD-FZRXOQNUSA-N
    • SMILES： O[C@H]1[C@H]2C(C)=CC[C@@H]1C2(C)C.OC(C)=O

Computed Properties

  • Exact Mass: 194.13074
  • Monoisotopic Mass: 212.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 246
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5A^2
  • XLogP3: 2.621

Experimental Properties

  • PSA: 26.3

Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)- Related Literature

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