Cas no 16964-45-7 (3-Tridecanone, 7-methyl-13-phenyl-)

3-Tridecanone, 7-methyl-13-phenyl- structure
16964-45-7 structure
Product Name:3-Tridecanone, 7-methyl-13-phenyl-
CAS No:16964-45-7
MF:C20H32O
MW:288.467486381531
CID:182542
Update Time:2023-08-03

3-Tridecanone, 7-methyl-13-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Tridecanone,7-methyl-13-phenyl- (8CI,9CI)
    • Hydroasperyellone
    • IQWGFVAPJJZOAV-UHFFFAOYSA-N
    • 3-Tridecanone, 7-methyl-13-phenyl-
    • Inchi: 1S/C20H32O/c1-3-20(21)17-11-13-18(2)12-7-4-5-8-14-19-15-9-6-10-16-19/h6,9-10,15-16,18H,3-5,7-8,11-14,17H2,1-2H3
    • InChI Key: IQWGFVAPJJZOAV-UHFFFAOYSA-N
    • SMILES: O=C(CC)CCCC(C)CCCCCCC1C=CC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 253
  • Topological Polar Surface Area: 17.1
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