3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile

CAS Registry Number®

898756-78-0
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CAS Name

3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile

Molecular Formula

C18H23NO3

Molecular Mass

301.38

Cite this Page

3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898756-78-0 (retrieved 2024-08-15) (CAS RN: 898756-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)9-4-3-8-16(20)15-7-5-6-14(10-15)11-19/h5-7,10,17H,3-4,8-9,12-13H2,1-2H3

InChIKey

InChIKey=GHYAOWUJSMPQQW-UHFFFAOYSA-N

SMILES

C(CCCCC1OCC(C)(C)CO1)(=O)C2=CC(C#N)=CC=C2

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCCCC2OCC(C)(C)CO2

Other Names for this Substance

  • Benzonitrile, 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]-
  • 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]benzonitrile