Cas no 101622-76-8 (6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate)

6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate structure
101622-76-8 structure
Product Name:6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate
CAS No:101622-76-8
MF:C12H20O4
MW:228.284804344177
CID:6765266
Update Time:2024-03-03

6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate Chemical and Physical Properties

Names and Identifiers

    • 6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate
    • Inchi: 1S/C12H20O4/c1-6-12(5,15-10(4)13)8-7-11(16-14)9(2)3/h6,11,14H,1-2,7-8H2,3-5H3/t11-,12-/m1/s1
    • InChI Key: ZZCXGYYYVARTHU-VXGBXAGGSA-N
    • SMILES: C(C)([C@H](OO)CC[C@@](OC(C)=O)(C)C=C)=C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • XLogP3: 1.695
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