Cas no 286854-05-5 (14-phenylmethoxytetradecanal)

14-phenylmethoxytetradecanal structure
14-phenylmethoxytetradecanal structure
Product Name:14-phenylmethoxytetradecanal
CAS No:286854-05-5
MF:C21H34O2
MW:318.493466854095
CID:1435491
PubChem ID:71357554
Update Time:2025-04-20

14-phenylmethoxytetradecanal Chemical and Physical Properties

Names and Identifiers

    • 14-phenylmethoxytetradecanal
    • 14-(BENZYLOXY)TETRADECANAL
    • 286854-05-5
    • DTXSID00781620
    • Inchi: 1S/C21H34O2/c22-18-14-9-7-5-3-1-2-4-6-8-10-15-19-23-20-21-16-12-11-13-17-21/h11-13,16-18H,1-10,14-15,19-20H2
    • InChI Key: CMTJYRZMUYYKAG-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)CCCCCCCCCCCCCC=O

Computed Properties

  • Exact Mass: 318.25602
  • Monoisotopic Mass: 318.255880323g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 16
  • Complexity: 246
  • 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: 6.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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