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2-Cyclopropylidene-1,7,7-trimethyl-bicyolo[2,2,1]heptane
PHCD compound ID : 3918
Chemical Names :
2-Cyclopropylidene-1,7,7-trimethyl-bicyolo[2,2,1]heptane
Molecular Formula : C13H20
Molecular Weight : 176.156501
More Details :
Names & Synonyms: 2-cyclopropylidene-1,7,7-trimethyl-norbornane , 3-cyclopropylidene-4,7,7-trimethylbicyclo[2.2.1]heptane , 3-cyclopropylidene-4,7,7-trimethyl-bicyclo[2.2.1]heptane
Smiles: CC1(C)[C@H]2CC[C@]1(C)C(=C1CC1)C2
InChi : InChI=1S/C13H20/c1-12(2)10-6-7-13(12,3)11(8-10)9-4-5-9/h10H,4-8H2,1-3H3/t10-,13+/m0/s1
InChi Key : InChIKey=SOXIHOIHNJNQQY-GXFFZTMASA-N
PubChem ID : 570488
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.281060
Hydrogen bond donor count : 0 Electric dipole moment : 0.613
XLogP : 4.67 VDW volume : 193.698424
Molecular weight : 176.156501 HOMO-LUMO gap : 10.621000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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