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3,7-dimethyl-1,6-octadiene
PHCD compound ID : 2999
Chemical Names :
3,7-dimethyl-1,6-octadiene
Molecular Formula : C10H18
Molecular Weight : 138.140851
More Details :
Names & Synonyms: 3,7-dimethylocta-1,6-diene
Smiles: C=C[C@H](CCC=C(C)C)C
InChi : InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1
InChi Key : InChIKey=FUDNBFMOXDUIIE-SNVBAGLBSA-N
PubChem ID : 17090
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.159859
Hydrogen bond donor count : 0 Electric dipole moment : 0.114
XLogP : 4.681 VDW volume : 176.243388
Molecular weight : 138.140851 HOMO-LUMO gap : 10.339000
Herb list :
Refrences & Litretures:
  
378.      Journal:'J. Agric. Food Chem'      Year:'1997'      Volume:'45'      Page:'459'      DOI:'10.1021/jf960105e'      Title:'Isolation and Identification of the Aroma Components from Saffron (Crocus sativus)'
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