Cas no 6326-90-5 (ethyl 4-(naphthalen-2-yl)butanoate)

ethyl 4-(naphthalen-2-yl)butanoate structure
6326-90-5 structure
Product Name:ethyl 4-(naphthalen-2-yl)butanoate
CAS No:6326-90-5
MF:C16H18O2
MW:242.312924861908
CID:959622
PubChem ID:233196
Update Time:2025-04-19

ethyl 4-(naphthalen-2-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(naphthalen-2-yl)butanoate
    • ethyl 4-naphthalen-2-ylbutanoate
    • 2-< 3-Ethoxycarbonyl-propyl> -naphthalin
    • 4-(Naphthyl-2)-buttersaeure-ethylester
    • 4-[2]Naphthyl-buttersaeure-aethylester
    • 4-[2]naphthyl-butyric acid ethyl ester
    • AC1L5PIB
    • AR-1I8943
    • CTK5B8390
    • Ehtyl 3-[2-naphthyl]butyrate
    • Ethyl 4-(2-naphthyl)butanoate
    • ethyl 4-(2-naphthyl)-butyrate
    • NSC31356
    • SureCN6771529
    • SCHEMBL6771529
    • 6326-90-5
    • XEASVXBNYREWCU-UHFFFAOYSA-N
    • Ethyl 4-(2-naphthyl)butanoate #
    • DTXSID30283420
    • NSC-31356
    • Inchi: 1S/C16H18O2/c1-2-18-16(17)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-4,7-8,10-12H,2,5-6,9H2,1H3
    • InChI Key: XEASVXBNYREWCU-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCC1C=CC2C=CC=CC=2C=1)=O

Computed Properties

  • Exact Mass: 242.13074
  • Monoisotopic Mass: 242.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 262
  • 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: 26.3?2

Experimental Properties

  • PSA: 26.3
  • LogP: 3.72560
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