Megastigmatrienone 4

CAS Registry Number®

5164-78-3
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CAS Name

Megastigmatrienone 4

Molecular Formula

C13H18O

Molecular Mass

190.28

Cite this Page

Megastigmatrienone 4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5164-78-3 (retrieved 2024-04-20) (CAS RN: 5164-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    62 °C @ Press: 0.095 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-

InChIKey

InChIKey=CBQXHTWJSZXYSK-DFTQQVSXSA-N

SMILES

CC1(C)/C(=C\C=C\C)/C(C)=CC(=O)C1

Canonical SMILES

O=C1C=C(C(=CC=CC)C(C)(C)C1)C

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-(2E)-2-buten-1-ylidene-3,5,5-trimethyl-, (4E)-
  • 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,E)-
  • 2-Cyclohexen-1-one, 4-(2E)-2-butenylidene-3,5,5-trimethyl-, (4E)-
  • (4E)-4-(2E)-2-Buten-1-ylidene-3,5,5-trimethyl-2-cyclohexen-1-one
  • Megastigmatrienone D

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