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3-Cyclohexene-1-methanol,alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)
PHCD compound ID : 3843
Chemical Names :
3-Cyclohexene-1-methanol,alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol , (2S)-6-methyl-2-[(1S)-4-methyl-1-cyclohex-3-enyl]-5-hepten-2-ol
Smiles: CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C
InChi : InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
InChi Key : InChIKey=RGZSQWQPBWRIAQ-CABCVRRESA-N
PubChem ID : 442343
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.143424
Hydrogen bond donor count : 1 Electric dipole moment : 1.826
XLogP : 4.085 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.416000
Herb list :
Refrences & Litretures:
  
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
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