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ScientificNameLabel
4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexan-1-carboxaldehyde
PHCD compound ID : 3008
Chemical Names :
4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexan-1-carboxaldehyde
Molecular Formula : C10H16O3
Molecular Weight : 184.109944
More Details :
Names & Synonyms:
Smiles: O=C[C@@H]1[C@@H](C)C(=O)[C@H](CC1(C)C)O
InChi : InChI=1S/C10H16O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h5-8,12H,4H2,1-3H3/t6-,7-,8+/m1/s1
InChi Key : InChIKey=VGMJBFPSVVWODC-PRJMDXOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.957866
Hydrogen bond donor count : 1 Electric dipole moment : 1.482
XLogP : 1.247 VDW volume : 190.257609
Molecular weight : 184.109944 HOMO-LUMO gap : 10.209000
Herb list :
Refrences & Litretures:
  
378.      Journal:'J. Agric. Food Chem'      Year:'1997'      Volume:'45'      Page:'459'      DOI:'10.1021/jf960105e'      Title:'Isolation and Identification of the Aroma Components from Saffron (Crocus sativus)'
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