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ScientificNameLabel
2,3-dimethyl-5-heptenala
PHCD compound ID : 3478
Chemical Names :
2,3-dimethyl-5-heptenala
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms:
Smiles: C/C=C/C[C@H]([C@@H](C=O)C)C
InChi : InChI=1S/C9H16O/c1-4-5-6-8(2)9(3)7-10/h4-5,7-9H,6H2,1-3H3/b5-4+/t8-,9-/m1/s1
InChi Key : InChIKey=WNLBHPXMHNDCOO-HOMPQPGZSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.522645
Hydrogen bond donor count : 0 Electric dipole moment : 2.780
XLogP : 3.253 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 10.253000
Herb list :
Refrences & Litretures:
  
486.      Journal:'Journal of Essential Oil Research'      Year:'1994'      Volume:'6'      Page:'93'      DOI:'10.1080/10412905.1994.9698335'      Title:'Volatiles of Common Horsechestnut (Aesculus hippocastanum L.) (Hippocastanaceae) Blossoms'
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