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3,7-Dimethyl-1-octenyl cyclopropanol
PHCD compound ID : 231
Chemical Names :
3,7-Dimethyl-1-octenyl cyclopropanol
Molecular Formula : C13H24O1
Molecular Weight : 196.182715
More Details :
Names & Synonyms: 1-[(E)-3,7-dimethyloct-1-enyl]cyclopropanol , 1-[(E)-3,7-dimethyloct-1-enyl]-1-cyclopropanol , 1-[(E)-3,7-dimethyloct-1-enyl]cyclopropan-1-ol
Smiles: C[C@@H](/C=C/C1(O)CC1)CCCC(C)C
InChi : InChI=1S/C13H24O/c1-11(2)5-4-6-12(3)7-8-13(14)9-10-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3/b8-7+/t12-/m1/s1
InChi Key : InChIKey=LTNQLWOZJVLKFC-ABZNLYFFSA-N
PubChem ID : 5367736
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.643116
Hydrogen bond donor count : 1 Electric dipole moment : 2.054
XLogP : 4.688 VDW volume : 227.201568
Molecular weight : 196.182715 HOMO-LUMO gap : 10.343000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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