Cas no 1218-65-1 (Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester)

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester structure
1218-65-1 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
CAS No:1218-65-1
MF:C16H20O2
MW:244.328804969788
CID:227551
PubChem ID:71038
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
    • Bicyclo(2.2.1)hept-5-en-2-ylmethyl bicyclo(2.2.1)hept-5-ene-2-carboxylate
    • 5-bicyclo[2.2.1]hept-2-enylmethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate
    • bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
    • SCHEMBL417020
    • 6-bicyclo[2.2.1]hept-2-enylmethyl bicyclo[2.2.1]hept-2-ene-6-carboxylate
    • NS00045371
    • 2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
    • DTXSID40923961
    • (Bicyclo[2.2.1]hept-5-en-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
    • EINECS 214-938-5
    • 1218-65-1
    • Inchi: 1S/C16H20O2/c17-16(15-8-11-2-4-13(15)6-11)18-9-14-7-10-1-3-12(14)5-10/h1-4,10-15H,5-9H2
    • InChI Key: SOSZGLNDFITMMF-UHFFFAOYSA-N
    • SMILES: O(C(C1CC2C=CC1C2)=O)CC1CC2C=CC1C2

Computed Properties

  • Exact Mass: 244.1464
  • Monoisotopic Mass: 244.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 423
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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