Skip Navigation Links
ScientificNameLabel
trans-canreol
PHCD compound ID : 1612
Chemical Names :
trans-canreol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1S,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-ol , (1S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enol , (1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol , (1S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ol
Smiles: CC(=C)[C@@H]1CC=C([C@H](C1)O)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1
InChi Key : InChIKey=BAVONGHXFVOKBV-ZJUUUORDSA-N
PubChem ID : 94221
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.606539
Hydrogen bond donor count : 1 Electric dipole moment : 1.587
XLogP : 1.699 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.504000
Herb list :
Refrences & Litretures:
  
180.      Journal:'Journal of Essential Oil Research'      Year:'1999'      Volume:'11'      Page:'306'      DOI:'10.1080/10412905.1999.9701140'      Title:'Aromatic Plants of Yugoslavia. I. Chemical Composition of Oils of Achillea millefolium L. ssp. pannonica (Scheele) Hayak, A. crithmifolia W. et K., A. serbica Nym. and A. tanacetifolia All'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us