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ScientificNameLabel
1,7-exo-Trimethylenebicyclo[3.2.l]octane
PHCD compound ID : 895
Chemical Names :
1,7-exo-Trimethylenebicyclo[3.2.l]octane
Molecular Formula : C11H18
Molecular Weight : 150.140851
More Details :
Names & Synonyms:
Smiles: C1C[C@@H]2C[C@H](C1)[C@@H]1[C@H]2CCC1
InChi : InChI=1S/C11H18/c1-3-8-7-9(4-1)11-6-2-5-10(8)11/h8-11H,1-7H2/t8-,9+,10+,11-
InChi Key : InChIKey=ZSSMBVMSIUFGPR-CKIJPRSSSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.584396
Hydrogen bond donor count : 0 Electric dipole moment : 0.113
XLogP : 5.335 VDW volume : 161.742913
Molecular weight : 150.140851 HOMO-LUMO gap : 14.276000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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