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ScientificNameLabel
4,5-Epoxy-1-isopropyl-4-methyl-1-Cyclohexene
PHCD compound ID : 3372
Chemical Names :
4,5-Epoxy-1-isopropyl-4-methyl-1-Cyclohexene
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]hept-3-ene , 6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]hept-3-ene
Smiles: CC(C1=CC[C@@]2([C@H](C1)O2)C)C
InChi : InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h4,7,9H,5-6H2,1-3H3/t9-,10+/m0/s1
InChi Key : InChIKey=JVQQTQFGLBPBSV-VHSXEESVSA-N
PubChem ID : 6430780
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.351716
Hydrogen bond donor count : 0 Electric dipole moment : 1.992
XLogP : 2.037 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.535000
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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