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Home> Encyclopedia > Hot Product Listed 2   > 2-Buten-1-one,1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-
1414885-15-6 structure

2-Buten-1-one,1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-

Iupac Name:2-azaspiro[3.4]octane;hydrochloride
CAS No.:1414885-15-6
Molecular Weight:147.646
Molecular Formula:C24H34O8 (isomer)
Names and Identifiers
Synonyms

2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, [1a(E),2b]- d-Damascone d-Damascone, trans,trans- trans,trans-d-Damascone trans-d-Damascone

Inchi
InChI=1S/C7H13N.ClH/c1-2-4-7(3-1)5-8-6-7;/h8H,1-6H2;1H
InChkey
HGTKRTFHRJSJLP-UHFFFAOYSA-N
Canonical Smiles
C1CCC2(C1)CNC2.Cl
Properties
Density
1.651
Boiling Point
486°C at 760 mmHg
Computational chemical data
  • Molecular Weight:147.646g/mol
  • Molecular Formula:C24H34O8
  • Compound Is Canonicalized:True
  • Exact Mass:147.081
  • Monoisotopic Mass:147.081
  • Complexity:86.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBiAAAEAAAAAAAAAAAAAABYAYAAAAAAAAAAAAAAAAAAAAAAHAAQAAAADgDBAAQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAAAAAAAEQAAAPAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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