Cas no 109789-13-1 (Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI))

Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI) structure
109789-13-1 structure
Product Name:Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI)
CAS No:109789-13-1
MF:C10H16O2
MW:168.232843399048
CID:147318
PubChem ID:6442873
Update Time:2025-04-19

Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI)
    • (5E)-7-hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
    • 109789-13-1
    • Hydroperoxide, 1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)-
    • Inchi: 1S/C10H16O2/c1-5-9(2)7-6-8-10(3,4)12-11/h5-6,8,11H,1-2,7H2,3-4H3/b8-6+
    • InChI Key: FUIFIERPDQXBRC-SOFGYWHQSA-N
    • SMILES: O(C(C)(C)/C=C/CC(=C)C=C)O

Computed Properties

  • Exact Mass: 168.11508
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46

Hydroperoxide,1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)- (9CI) Related Literature

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