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ScientificNameLabel
cis-thujenol
PHCD compound ID : 4095
Chemical Names :
cis-thujenol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1R,2S,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-en-2-ol , (1R,2S,5S)-4-methyl-1-propan-2-yl-2-bicyclo[3.1.0]hex-3-enol , (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol , (1R,2S,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-3-en-2-ol
Smiles: CC1=C[C@@H]([C@@]2([C@H]1C2)C(C)C)O
InChi : InChI=1S/C10H16O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8-9,11H,5H2,1-3H3/t8-,9-,10+/m0/s1
InChi Key : InChIKey=OJTQGSSVGDYALN-LPEHRKFASA-N
PubChem ID : 91746682
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.633419
Hydrogen bond donor count : 1 Electric dipole moment : 2.340
XLogP : 1.936 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.334000
Herb list :
Refrences & Litretures:
  
566.      Journal:'J. Essent. Oil Res'      Year:'1993'      Volume:'5'      Page:'451'      DOI:'10.1080/10412905.1993.9698258'      Title:'The Essential Oil of Cinnamomum camphora (L.) Sieb. var. linaloolifera from Vietnam'
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