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ScientificNameLabel
cis-Pinene hydrate
PHCD compound ID : 5429
Chemical Names :
cis-Pinene hydrate
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1R,2R,5S)-2,6,6-trimethylnorpinan-2-ol , (1R,2R,5S)-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanol , (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol , (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
Smiles: C[C@@]1(O)CC[C@H]2C[C@@H]1C2(C)C
InChi : InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChi Key : InChIKey=YYWZKGZIIKPPJZ-QXFUBDJGSA-N
PubChem ID : 1268143
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.969145
Hydrogen bond donor count : 1 Electric dipole moment : 1.405
XLogP : 2.756 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.894000
Herb list :
Refrences & Litretures:
  
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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