Cas no 17454-49-8 (1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro-)

1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro- structure
17454-49-8 structure
Product Name:1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro-
CAS No:17454-49-8
MF:C18H34O5
MW:330.45956659317
CID:138347
PubChem ID:3293438
Update Time:2025-04-19

1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro- Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro-
    • 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
    • 4-tert-Butylcyclohexano-15-crown-5
    • 4-tert-Butylcyclohexo-15-crown-5
    • 4-T-BUTYLCYCLOHEXANO-15-CROWN-5
    • J-011005
    • DTXSID80391140
    • 17454-49-8
    • AKOS015910618
    • 4-tert-Butylcyclohexano-15-crown-5, >=95.0% (GC), yellow
    • 15-(tert-Butyl)tetradecahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine
    • Inchi: 1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3
    • InChI Key: KEDVODGFVKTPLB-UHFFFAOYSA-N
    • SMILES: O1CCOCCOCCOCCOC2CCC(CC12)C(C)(C)C

Computed Properties

  • Exact Mass: 330.24100
  • Monoisotopic Mass: 330.241
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.2
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • Color/Form: Crystallization.
  • Density: 1.08?g/mL?at 20?°C(lit.)
  • PSA: 46.15000
  • LogP: 2.66640
  • Solubility: Insoluble in water.

1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26-36

1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro- Pricemore >>

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1,4,7,10,13-Benzopentaoxacyclopentadecin,15-(1,1-dimethylethyl)tetradecahydro- Related Literature

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