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ScientificNameLabel
Pantalene octahydro-2-methyl
PHCD compound ID : 1356
Chemical Names :
Pantalene octahydro-2-methyl
Molecular Formula : C9H16
Molecular Weight : 124.125201
More Details :
Names & Synonyms: 2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
Smiles: C[C@@H]1C[C@H]2[C@@H](C1)CCC2
InChi : InChI=1S/C9H16/c1-7-5-8-3-2-4-9(8)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-
InChi Key : InChIKey=OWJYQLKKWIHHLI-AYMMMOKOSA-N
PubChem ID : 557010
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 10.732958
Hydrogen bond donor count : 0 Electric dipole moment : 0.228
XLogP : 4.598 VDW volume : 139.507403
Molecular weight : 124.125201 HOMO-LUMO gap : 14.386000
Herb list :
Refrences & Litretures:
  
145.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'645'      DOI:'10.1080/0972060X.2012.10644099'      Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
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