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2,6,6-trimethyl-1,4-cyclohexadien-1-carboxaldehyde
PHCD compound ID : 2998
Chemical Names :
2,6,6-trimethyl-1,4-cyclohexadien-1-carboxaldehyde
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 2,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde , 2,6,6-trimethyl-1-cyclohexa-1,4-dienecarboxaldehyde
Smiles: O=CC1=C(C)CC=CC1(C)C
InChi : InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4,6-7H,5H2,1-3H3
InChi Key : InChIKey=AXVHXJQWKAFHQW-UHFFFAOYSA-N
PubChem ID : 11819211
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.405492
Hydrogen bond donor count : 0 Electric dipole moment : 3.100
XLogP : 2.856 VDW volume : 170.040697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.784000
Herb list :
Refrences & Litretures:
  
378.      Journal:'J. Agric. Food Chem'      Year:'1997'      Volume:'45'      Page:'459'      DOI:'10.1021/jf960105e'      Title:'Isolation and Identification of the Aroma Components from Saffron (Crocus sativus)'
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