Cas no 63661-47-2 (Cyclohexanol, methyl(1-methylethyl)-, acetate)

Cyclohexanol, methyl(1-methylethyl)-, acetate structure
63661-47-2 structure
Product Name:Cyclohexanol, methyl(1-methylethyl)-, acetate
CAS No:63661-47-2
MF:C12H24O3
MW:216.317164421082
CID:1655787
PubChem ID:71380991
Update Time:2025-04-21

Cyclohexanol, methyl(1-methylethyl)-, acetate Chemical and Physical Properties

Names and Identifiers

    • acetic acid,2-methyl-1-propan-2-ylcyclohexan-1-ol
    • Cyclohexanol, methyl(1-methylethyl)-, acetate
    • DTXSID00803472
    • 63661-47-2
    • Acetic acid--2-methyl-1-(propan-2-yl)cyclohexan-1-ol (1/1)
    • Inchi: 1S/C10H20O.C2H4O2/c1-8(2)10(11)7-5-4-6-9(10)3;1-2(3)4/h8-9,11H,4-7H2,1-3H3;1H3,(H,3,4)
    • InChI Key: HKODHEBFUMAVSW-UHFFFAOYSA-N
    • SMILES: OC1(C(C)C)CCCCC1C.OC(C)=O

Computed Properties

  • Exact Mass: 216.17262
  • Monoisotopic Mass: 216.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 162
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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