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ScientificNameLabel
2-hydroxypropyl 2-ethylhexanoate
PHCD compound ID : 5355
Chemical Names :
2-hydroxypropyl 2-ethylhexanoate
Molecular Formula : C11H22O3
Molecular Weight : 202.156895
More Details :
Names & Synonyms: 2-hydroxypropyl 2-ethylhexanoate , 2-ethylhexanoic acid 2-hydroxypropyl ester , 2-oxidanylpropyl 2-ethylhexanoate
Smiles: CCCC[C@H](C(=O)OC[C@H](O)C)CC
InChi : InChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=RCYYLBZELJCFBT-NXEZZACHSA-N
PubChem ID : 23497921
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.572035
Hydrogen bond donor count : 1 Electric dipole moment : 2.600
XLogP : 2.814 VDW volume : 222.546511
Molecular weight : 202.156895 HOMO-LUMO gap : 11.670000
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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