Cas no 33781-76-9 (Cyclohexane, 1,1-dipropoxy-)

Cyclohexane, 1,1-dipropoxy- structure
Cyclohexane, 1,1-dipropoxy- structure
Product Name:Cyclohexane, 1,1-dipropoxy-
CAS No:33781-76-9
MF:C12H24O2
MW:200.317764282227
CID:1460111
PubChem ID:22250755
Update Time:2025-04-20

Cyclohexane, 1,1-dipropoxy- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexane, 1,1-dipropoxy-
    • 1,1-dipropoxycyclohexane
    • IEIYNUJMIWPRGL-UHFFFAOYSA-N
    • 33781-76-9
    • SCHEMBL2139499
    • DTXSID10623885
    • Inchi: 1S/C12H24O2/c1-3-10-13-12(14-11-4-2)8-6-5-7-9-12/h3-11H2,1-2H3
    • InChI Key: IEIYNUJMIWPRGL-UHFFFAOYSA-N
    • SMILES: O(CCC)C1(CCCCC1)OCCC

Computed Properties

  • Exact Mass: 200.17772
  • Monoisotopic Mass: 200.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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