Cas no 54384-75-7 (Benzene, 1-methoxy-4-[(octyloxy)methyl]-)

Benzene, 1-methoxy-4-[(octyloxy)methyl]- structure
54384-75-7 structure
Product Name:Benzene, 1-methoxy-4-[(octyloxy)methyl]-
CAS No:54384-75-7
MF:C16H26O2
MW:250.376445293427
CID:354748
PubChem ID:11288168
Update Time:2025-04-19

Benzene, 1-methoxy-4-[(octyloxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methoxy-4-[(octyloxy)methyl]-
    • 1-methoxy-4-(octoxymethyl)benzene
    • 54384-75-7
    • DTXSID40461318
    • Inchi: 1S/C16H26O2/c1-3-4-5-6-7-8-13-18-14-15-9-11-16(17-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3
    • InChI Key: UYQBQYJDWQIJEP-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC(=CC=1)OC)CCCCCCCC

Computed Properties

  • Exact Mass: 250.19338
  • Monoisotopic Mass: 250.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 10
  • Complexity: 174
  • 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: 5
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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