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3,4-Dimethylheptane
PHCD compound ID : 1507
Chemical Names :
3,4-Dimethylheptane
Molecular Formula : C9H20
Molecular Weight : 128.156501
More Details :
Names & Synonyms: 3,4-dimethylheptane
Smiles: CCC[C@H]([C@@H](CC)C)C
InChi : InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChi Key : InChIKey=MAKRYGRRIKSDES-RKDXNWHRSA-N
PubChem ID : 13534
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.699540
Hydrogen bond donor count : 0 Electric dipole moment : 0.112
XLogP : 5.339 VDW volume : 164.22032
Molecular weight : 128.156501 HOMO-LUMO gap : 14.678000
Herb list :
Refrences & Litretures:
  
162.      Journal:'Phytochemistry'      Year:'1992'      Volume:'31'      Page:'571'      DOI:''      Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
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