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4-methylene-3,5,5-trimethyl-2-cyclohexen-1-one
PHCD compound ID : 3003
Chemical Names :
4-methylene-3,5,5-trimethyl-2-cyclohexen-1-one
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 3,5,5-trimethyl-4-methylene-cyclohex-2-en-1-one , 3,5,5-trimethyl-4-methylene-1-cyclohex-2-enone , 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one , 3,5,5-trimethyl-4-methylidene-cyclohex-2-en-1-one
Smiles: O=C1C=C(C)C(=C)C(C1)(C)C
InChi : InChI=1S/C10H14O/c1-7-5-9(11)6-10(3,4)8(7)2/h5H,2,6H2,1,3-4H3
InChi Key : InChIKey=MCGQFKNFKWPWAA-UHFFFAOYSA-N
PubChem ID : 641351
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.781531
Hydrogen bond donor count : 0 Electric dipole moment : 4.352
XLogP : 2.107 VDW volume : 170.040697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.304000
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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