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ScientificNameLabel
rose oxide
PHCD compound ID : 4526
Chemical Names :
rose oxide
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: 4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran , 4-methyl-2-(2-methylprop-1-enyl)oxane
Smiles: C[C@@H]1CCO[C@@H](C1)C=C(C)C
InChi : InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=CZCBTSFUTPZVKJ-NXEZZACHSA-N
PubChem ID : 27866
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.234374
Hydrogen bond donor count : 0 Electric dipole moment : 1.947
XLogP : 2.696 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.490000
Herb list :
Refrences & Litretures:
  
674.      Journal:'Rev Bras Farmacogn'      Year:'2014'      Volume:'24'      Page:'25'      DOI:'10.1590/0102-695X2014241434'      Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
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