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ScientificNameLabel
Ethyl 2-(5-methyl-5-vinyltetrahydrofuran-2-yl) propan-2-yl carbonate
PHCD compound ID : 5726
Chemical Names :
Ethyl 2-(5-methyl-5-vinyltetrahydrofuran-2-yl) propan-2-yl carbonate
Molecular Formula : C13H22O4
Molecular Weight : 242.151809
More Details :
Names & Synonyms: ethyl [1-methyl-1-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)ethyl] carbonate , carbonic acid 2-(5-ethenyl-5-methyl-2-oxolanyl)propan-2-yl ethyl ester , 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl ethyl carbonate , 2-(5-ethenyl-5-methyl-oxolan-2-yl)propan-2-yl ethyl carbonate , carbonic acid ethyl [1-methyl-1-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)ethyl] ester
Smiles: CCOC(=O)OC([C@H]1CC[C@](O1)(C)C=C)(C)C
InChi : InChI=1S/C13H22O4/c1-6-13(5)9-8-10(16-13)12(3,4)17-11(14)15-7-2/h6,10H,1,7-9H2,2-5H3/t10-,13+/m1/s1
InChi Key : InChIKey=HRYCRSVSFJLRBW-MFKMUULPSA-N
PubChem ID : 91694113
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.633344
Hydrogen bond donor count : 0 Electric dipole moment : 1.856
XLogP : 2.893 VDW volume : 250.93579
Molecular weight : 242.151809 HOMO-LUMO gap : 10.304000
Herb list :
Refrences & Litretures:
  
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
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