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ScientificNameLabel
Pinol
PHCD compound ID : 1428
Chemical Names :
Pinol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
Smiles: CC1=CC[C@@H]2C[C@H]1OC2(C)C
InChi : InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChi Key : InChIKey=SKBXVAOMEVOTGJ-RKDXNWHRSA-N
PubChem ID : 101153
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.271601
Hydrogen bond donor count : 0 Electric dipole moment : 1.486
XLogP : 1.779 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.398000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
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