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2,3-Naphthalene decahydrodimethyl
PHCD compound ID : 1346
Chemical Names :
2,3-Naphthalene decahydrodimethyl
Molecular Formula : C12H22
Molecular Weight : 166.172151
More Details :
Names & Synonyms: 2,3-dimethyldecalin , 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Smiles: C[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1C
InChi : InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1
InChi Key : InChIKey=UBGLIVPMNDOOTE-NNYUYHANSA-N
PubChem ID : 13885
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.285588
Hydrogen bond donor count : 0 Electric dipole moment : 0.096
XLogP : 6.244 VDW volume : 191.395357
Molecular weight : 166.172151 HOMO-LUMO gap : 13.994000
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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