Cas no 68298-49-7 (6-isopropyl-3-methylcyclohexen-1-yl acetate)

6-isopropyl-3-methylcyclohexen-1-yl acetate structure
68298-49-7 structure
Product Name:6-isopropyl-3-methylcyclohexen-1-yl acetate
CAS No:68298-49-7
MF:C12H20O2
MW:196.286004066467
CID:969914
PubChem ID:109280
Update Time:2025-04-19

6-isopropyl-3-methylcyclohexen-1-yl acetate Chemical and Physical Properties

Names and Identifiers

    • 6-isopropyl-3-methylcyclohexen-1-yl acetate
    • 1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 1-acetate
    • 1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, acetate
    • 3-methyl-6-(propan-2-yl)cyclohex-1-en-1-yl acetate
    • 3-Methyl-6-isopropyl-1-cyclohexene-1-ol, acetate
    • NS00059653
    • 68298-49-7
    • DTXSID30887321
    • EINECS 269-573-4
    • FJUUBJPVVOEJMG-UHFFFAOYSA-N
    • Inchi: 1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-9,11H,5-6H2,1-4H3
    • InChI Key: FJUUBJPVVOEJMG-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1=CC(C)CCC1C(C)C

Computed Properties

  • Exact Mass: 196.1464
  • Monoisotopic Mass: 196.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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