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ScientificNameLabel
isocyclocitral
PHCD compound ID : 5354
Chemical Names :
isocyclocitral
Molecular Formula : C20H32O2
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde;3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde , 2,4,6-trimethyl-1-cyclohex-3-enecarboxaldehyde;3,5,6-trimethyl-1-cyclohex-3-enecarboxaldehyde
Smiles: O=C[C@@H]1[C@H](C)CC(=C[C@H]1C)C.O=C[C@@H]1CC(=C[C@H]([C@H]1C)C)C
InChi : InChI=1S/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3/t2*8-,9-,10+/m11/s1
InChi Key : InChIKey=AEXLFXYEFLKADK-PETQRYCISA-N
PubChem ID : 16204527
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.432771
Hydrogen bond donor count : 0 Electric dipole moment : 5.976
XLogP : 2.805 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.987000
Herb list :
Refrences & Litretures:
  
875.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'183'      DOI:'10.1080/10412905.2007.9699255'      Title:'olatile Constituents and Antimicrobial Activity of Tilia tomentosa Moench and Tilia cordata Miller Oils'
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