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ScientificNameLabel
Vetivenol(Bicyclo)
PHCD compound ID : 1057
Chemical Names :
Vetivenol(Bicyclo)
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-(4-methyl-8-methylene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl)propan-2-ol , 2-(4-methyl-8-methylene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl)-2-propanol , 2-(4-methyl-8-methylidene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl)propan-2-ol
Smiles: C[C@@H]1CCCC(=C)[C@H]2[C@@H]1C[C@H](C2)C(O)(C)C
InChi : InChI=1S/C15H26O/c1-10-6-5-7-11(2)14-9-12(8-13(10)14)15(3,4)16/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13+,14-/m1/s1
InChi Key : InChIKey=VCECLBDDLTXHHP-ZOBORPQBSA-N
PubChem ID : 101600032
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.383080
Hydrogen bond donor count : 1 Electric dipole moment : 2.627
XLogP : 4.732 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.877000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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