Cas no 101891-90-1 (2,6-dibutoxynaphthalene)

2,6-dibutoxynaphthalene structure
2,6-dibutoxynaphthalene structure
Product Name:2,6-dibutoxynaphthalene
CAS No:101891-90-1
MF:C18H24O2
MW:272.381965637207
CID:1134862
PubChem ID:71332683
Update Time:2025-04-20

2,6-dibutoxynaphthalene Chemical and Physical Properties

Names and Identifiers

    • 2,6-dibutoxynaphthalene
    • Naphthalene, 2,6-dibutoxy-
    • DTXSID20761080
    • SCHEMBL19809314
    • 101891-90-1
    • Inchi: 1S/C18H24O2/c1-3-5-11-19-17-9-7-16-14-18(20-12-6-4-2)10-8-15(16)13-17/h7-10,13-14H,3-6,11-12H2,1-2H3
    • InChI Key: RKDOUCYBKSQOTF-UHFFFAOYSA-N
    • SMILES: O(C1C=CC2C=C(C=CC=2C=1)OCCCC)CCCC

Computed Properties

  • Exact Mass: 272.17772
  • Monoisotopic Mass: 272.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 228
  • 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: 5.6
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
  • LogP: 5.19760
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