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ScientificNameLabel
2-Cyclohexen-1-ol,1-methyl
PHCD compound ID : 1844
Chemical Names :
2-Cyclohexen-1-ol,1-methyl
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: (1R)-1-methylcyclohex-2-en-1-ol , (1R)-1-methyl-1-cyclohex-2-enol
Smiles: C[C@@]1(O)CCCC=C1
InChi : InChI=1S/C7H12O/c1-7(8)5-3-2-4-6-7/h3,5,8H,2,4,6H2,1H3/t7-/m0/s1
InChi Key : InChIKey=LVUQVFWOWNKFRL-ZETCQYMHSA-N
PubChem ID : 11094567
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.951786
Hydrogen bond donor count : 1 Electric dipole moment : 1.696
XLogP : 1.189 VDW volume : 123.42566
Molecular weight : 112.088815 HOMO-LUMO gap : 10.849000
Herb list :
Refrences & Litretures:
  
216.      Journal:'J. BioSci. Biotechnol'      Year:'2015'      Volume:'4'      Page:'117'      DOI:''      Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
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