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ScientificNameLabel
trans-Pinane
PHCD compound ID : 1108
Chemical Names :
trans-Pinane
Molecular Formula : C10H18
Molecular Weight : 138.140851
More Details :
Names & Synonyms: (1R,2R,5R)-2,6,6-trimethylnorpinane , (1R,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane
Smiles: C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChi Key : InChIKey=XOKSLPVRUOBDEW-IWSPIJDZSA-N
PubChem ID : 11051725
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.030967
Hydrogen bond donor count : 0 Electric dipole moment : 0.286
XLogP : 5.143 VDW volume : 156.803388
Molecular weight : 138.140851 HOMO-LUMO gap : 13.659000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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