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ScientificNameLabel
Allyl cyclohexane propionate
PHCD compound ID : 510
Chemical Names :
Allyl cyclohexane propionate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: allyl 3-cyclohexylpropanoate , 3-cyclohexylpropanoic acid prop-2-enyl ester , prop-2-enyl 3-cyclohexylpropanoate , 3-cyclohexylpropionic acid allyl ester
Smiles: C=CCOC(=O)CCC1CCCCC1
InChi : InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChi Key : InChIKey=TWXUTZNBHUWMKJ-UHFFFAOYSA-N
PubChem ID : 17617
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.340219
Hydrogen bond donor count : 0 Electric dipole moment : 1.756
XLogP : 4.122 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.164000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
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