Cas no 56776-08-0 (2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)

2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione structure
56776-08-0 structure
Product Name:2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS No:56776-08-0
MF:C26H43NO3
MW:417.624528169632
CID:335682
Update Time:2023-08-03

2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(1-oxooctadecyl)-
    • 2-octadecanoyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
    • OUMMMEILOGBHKO-UHFFFAOYSA-N
    • N-stearoyl-4-cyclohexene-1,2-dicarboximide
    • 2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
    • Inchi: 1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(28)27-25(29)22-19-17-18-20-23(22)26(27)30/h17-18,22-23H,2-16,19-21H2,1H3
    • InChI Key: OUMMMEILOGBHKO-UHFFFAOYSA-N
    • SMILES: O=C1C2CC=CCC2C(N1C(CCCCCCCCCCCCCCCCC)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 16
  • Complexity: 543
  • Topological Polar Surface Area: 54.4
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