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2,5,5-Trimethylheptane
PHCD compound ID : 5492
Chemical Names :
2,5,5-Trimethylheptane
Molecular Formula : C10H22
Molecular Weight : 142.172151
More Details :
Names & Synonyms: 2,5,5-trimethylheptane
Smiles: CCC(CCC(C)C)(C)C
InChi : InChI=1S/C10H22/c1-6-10(4,5)8-7-9(2)3/h9H,6-8H2,1-5H3
InChi Key : InChIKey=SOYLPZSOEXZMLE-UHFFFAOYSA-N
PubChem ID : 14478
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.691292
Hydrogen bond donor count : 0 Electric dipole moment : 0.105
XLogP : 5.945 VDW volume : 181.516305
Molecular weight : 142.172151 HOMO-LUMO gap : 14.771000
Herb list :
Refrences & Litretures:
  
922.      Journal:'Acta Physiol Plant'      Year:'2010'      Volume:'32'      Page:'231'      DOI:'10.1007/s11738-009-0381-5'      Title:'Essential oil composition of Taraxacum of?cinale'
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