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(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
PHCD compound ID : 1247
Chemical Names :
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Smiles: CC1=CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChi Key : InChIKey=GRWFGVWFFZKLTI-RKDXNWHRSA-N
PubChem ID : 82227
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.061194
Hydrogen bond donor count : 0 Electric dipole moment : 0.401
XLogP : 4.177 VDW volume : 154.166929
Molecular weight : 136.125201 HOMO-LUMO gap : 10.368000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
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