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ScientificNameLabel
Ethanone-1-(1,4-dimethyl-3-cyclohexen-1-yl)
PHCD compound ID : 3371
Chemical Names :
Ethanone-1-(1,4-dimethyl-3-cyclohexen-1-yl)
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone , 1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone
Smiles: CC1=CC[C@](CC1)(C)C(=O)C
InChi : InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3/t10-/m0/s1
InChi Key : InChIKey=BIUSXTISNNLMOR-JTQLQIEISA-N
PubChem ID : 65289
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.204032
Hydrogen bond donor count : 0 Electric dipole moment : 3.351
XLogP : 1.845 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.324000
Herb list :
Refrences & Litretures:
  
460.      Journal:'J Sci Food Agric'      Year:'2005'      Volume:'85'      Page:'2297'      DOI:'10.1002/jsfa.2255'      Title:'Chemical constituents and antimicrobial and antioxidant potentials of essential oil and acetone extract of Nigella sativa seeds'
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