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ScientificNameLabel
7-ethyl-3,6-dihydro-1,4-dimethylazulene
PHCD compound ID : 359
Chemical Names :
7-ethyl-3,6-dihydro-1,4-dimethylazulene
Molecular Formula : C14H18
Molecular Weight : 186.140851
More Details :
Names & Synonyms: 5-ethyl-3,8-dimethyl-1,6-dihydroazulene
Smiles: CCC1=CC2=C(C(=CC1)C)CC=C2C
InChi : InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3
InChi Key : InChIKey=NVMJWYJTLVURAS-UHFFFAOYSA-N
PubChem ID : 71349359
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.245846
Hydrogen bond donor count : 0 Electric dipole moment : 0.590
XLogP : 4.919 VDW volume : 215.441491
Molecular weight : 186.140851 HOMO-LUMO gap : 8.300000
Herb list :
Refrences & Litretures:
  
21.      Journal:'A. absin J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'321'      DOI:''      Title:'Essential Oils Composition of Iranian Artemisia absinthium L. and Artemisia scoparia Waldst. et Kit'
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