Cas no 16021-20-8 (o-propylethylbenzene)

o-propylethylbenzene structure
o-propylethylbenzene structure
Product Name:o-propylethylbenzene
CAS No:16021-20-8
MF:C11H16
MW:148.244743347168
CID:865969
PubChem ID:519210
Update Time:2025-04-19

o-propylethylbenzene Chemical and Physical Properties

Names and Identifiers

    • o-propylethylbenzene
    • 1-ethyl-2-propylbenzene
    • 1-Ethyl-2-n-propylbenzene
    • Inchi: 1S/C11H16/c1-3-7-11-9-6-5-8-10(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3
    • InChI Key: DMUVQFCRCMDZPW-UHFFFAOYSA-N
    • SMILES: C1(C=CC=CC=1CC)CCC

Computed Properties

  • Exact Mass: 148.12528
  • Monoisotopic Mass: 148.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 96.2
  • 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: 4.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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