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Decahydro-1,6-bis(methylene)-4-(1-methylethyl)-naphthalene
PHCD compound ID : 2692
Chemical Names :
Decahydro-1,6-bis(methylene)-4-(1-methylethyl)-naphthalene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 4-isopropyl-1,6-dimethylene-decalin , 4,7-dimethylene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene , 4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene
Smiles: C=C1CC[C@@H]2[C@H](C1)[C@@H](CCC2=C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3/t13-,14-,15+/m0/s1
InChi Key : InChIKey=NOLWRMQDWRAODO-SOUVJXGZSA-N
PubChem ID : 520461
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.462440
Hydrogen bond donor count : 0 Electric dipole moment : 1.312
XLogP : 5.991 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.758000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
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