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ScientificNameLabel
neoisodihydrocarvyl acetate
PHCD compound ID : 4627
Chemical Names :
neoisodihydrocarvyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1R,2S,5R)-5-isopropenyl-2-methyl-cyclohexyl] acetate , acetic acid [(1R,2S,5R)-2-methyl-5-(1-methylethenyl)cyclohexyl] ester , [(1R,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate , [(1R,2S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexyl] ethanoate , acetic acid [(1R,2S,5R)-5-isopropenyl-2-methyl-cyclohexyl] ester
Smiles: CC(=O)O[C@@H]1C[C@@H](CC[C@@H]1C)C(=C)C
InChi : InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12+/m0/s1
InChi Key : InChIKey=TUSIZTVSUSBSQI-MVWJERBFSA-N
PubChem ID : 6978721
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.727409
Hydrogen bond donor count : 0 Electric dipole moment : 1.729
XLogP : 3.135 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.914000
Herb list :
Refrences & Litretures:
  
718.      Journal:'J. Agric. Food Chem'      Year:'1998'      Volume:'46'      Page:'1739'      DOI:'10.1021/jf9708296'      Title:'Antifungal Activities of Origanum vulgare subsp. hirtum, Mentha spicata, Lavandula angustifolia, and Salvia fruticosa Essential Oils against Human Pathogenic Fungi'
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