Cas no 15326-95-1 (Diethyl benzyl(pentyl)propanedioate)

Diethyl benzyl(pentyl)propanedioate structure
15326-95-1 structure
Product Name:Diethyl benzyl(pentyl)propanedioate
CAS No:15326-95-1
MF:C19H28O4
MW:320.423226356506
CID:2779104
Update Time:2023-08-07

Diethyl benzyl(pentyl)propanedioate Chemical and Physical Properties

Names and Identifiers

    • Diethyl benzyl(pentyl)propanedioate
    • Inchi: 1S/C19H28O4/c1-4-7-11-14-19(17(20)22-5-2,18(21)23-6-3)15-16-12-9-8-10-13-16/h8-10,12-13H,4-7,11,14-15H2,1-3H3
    • InChI Key: CVFCPZPPHJMFPO-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(CC1C=CC=CC=1)CCCCC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 12
  • Complexity: 340
  • XLogP3: 5.2
  • Topological Polar Surface Area: 52.6
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