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1,2-dimethylpropyl 2-ethylhexanoate
PHCD compound ID : 5356
Chemical Names :
1,2-dimethylpropyl 2-ethylhexanoate
Molecular Formula : C13H26O2
Molecular Weight : 214.19328
More Details :
Names & Synonyms: 1,2-dimethylpropyl 3-ethylhexanoate , 3-ethylhexanoic acid 3-methylbutan-2-yl ester , 3-methylbutan-2-yl 3-ethylhexanoate , 3-ethylhexanoic acid 1,2-dimethylpropyl ester
Smiles: CCC[C@H](CC(=O)O[C@@H](C(C)C)C)CC
InChi : InChI=1S/C13H26O2/c1-6-8-12(7-2)9-13(14)15-11(5)10(3)4/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
InChi Key : InChIKey=QDOWVGVMLSTSNC-VXGBXAGGSA-N
PubChem ID : 545581
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.477474
Hydrogen bond donor count : 0 Electric dipole moment : 2.511
XLogP : 4.816 VDW volume : 248.348254
Molecular weight : 214.19328 HOMO-LUMO gap : 11.775000
Herb list :
Refrences & Litretures:
  
875.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'183'      DOI:'10.1080/10412905.2007.9699255'      Title:'olatile Constituents and Antimicrobial Activity of Tilia tomentosa Moench and Tilia cordata Miller Oils'
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