1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

CAS Registry Number®

108614-26-2
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CAS Name

1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Molecular Formula

C16H18O3

Molecular Mass

258.31

Cite this Page

1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=108614-26-2 (retrieved 2024-03-29) (CAS RN: 108614-26-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H18O3/c1-3-9-15-10-17-16(18-11-15,19-12-15)14-7-5-13(4-2)6-8-14/h2,5-8H,3,9-12H2,1H3

InChIKey

InChIKey=HFUCNMPQEAYQDJ-UHFFFAOYSA-N

SMILES

C(CC)C12COC(OC1)(OC2)C3=CC=C(C#C)C=C3

Canonical SMILES

C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)CCC

Other Names for this Substance

  • 2,6,7-Trioxabicyclo[2.2.2]octane, 1-(4-ethynylphenyl)-4-propyl-
  • 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
  • EBOB
  • 1-(4-Ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Deleted or Replaced CAS Registry Numbers

118529-04-7

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