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ScientificNameLabel
cis-Piperitol acetate
PHCD compound ID : 5430
Chemical Names :
cis-Piperitol acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1R,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl] acetate , acetic acid [(1R,6S)-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl] ester , [(1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl] acetate , [(1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl] acetate , [(1R,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl] ethanoate , acetic acid [(1R,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl] ester
Smiles: CC(=O)O[C@H]1C=C(C)CC[C@H]1C(C)C
InChi : InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3/t11-,12-/m0/s1
InChi Key : InChIKey=NADGBBLSBLDJEH-RYUDHWBXSA-N
PubChem ID : 6427492
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.553283
Hydrogen bond donor count : 0 Electric dipole moment : 2.869
XLogP : 3.255 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.483000
Herb list :
Refrences & Litretures:
  
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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