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2,2-dimethylocta-3,4-dienal
PHCD compound ID : 1052
Chemical Names :
2,2-dimethylocta-3,4-dienal , Octadienal(2,2-Dimethyl-3,4-)
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,2-dimethylocta-3,4-dienal
Smiles: CCCC=C=CC(C=O)(C)C
InChi : InChI=1S/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h6,8-9H,4-5H2,1-3H3/t7-/m0/s1
InChi Key : InChIKey=VSFHYKIILWBKOH-ZETCQYMHSA-N
PubChem ID : 253228
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.732236
Hydrogen bond donor count : 0 Electric dipole moment : 3.329
XLogP : 4.873 VDW volume : 182.397156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.430000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
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