Cas no 121954-61-8 (Benzene,1-(1-methylethyl)-3-propyl-)

Benzene,1-(1-methylethyl)-3-propyl- structure
121954-61-8 structure
Product Name:Benzene,1-(1-methylethyl)-3-propyl-
CAS No:121954-61-8
MF:C12H18
MW:162.271323680878
CID:104615
PubChem ID:528287
Update Time:2025-04-18

Benzene,1-(1-methylethyl)-3-propyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(1-methylethyl)-3-propyl-
    • 1-propan-2-yl-3-propylbenzene
    • Benzene, 1-(1-methylethyl)-3-propyl- (9CI)
    • 1-isoPropyl-3-n-Propylbenzene
    • DTXSID50335995
    • Benzene, 1-(1-methylethyl)-3-propyl
    • 121954-61-8
    • 1-isopropyl-3-propylbenzene
    • DSHOOBWVUTWYNK-UHFFFAOYSA-N
    • Inchi: 1S/C12H18/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-10H,4,6H2,1-3H3
    • InChI Key: DSHOOBWVUTWYNK-UHFFFAOYSA-N
    • SMILES: C(C)(C)C1C=CC=C(C=1)CCC

Computed Properties

  • Exact Mass: 162.14094
  • Monoisotopic Mass: 162.140850574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 115
  • 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: 4.4
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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