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ScientificNameLabel
Caryophylla-3,8(15)-dien-5-one
PHCD compound ID : 1443
Chemical Names :
Caryophylla-3,8(15)-dien-5-one
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (2Z)-2,6,6-trimethyl-9-methylene-cycloundec-2-en-1-one , (2Z)-2,6,6-trimethyl-9-methylene-1-cycloundec-2-enone , (2Z)-2,6,6-trimethyl-9-methylidenecycloundec-2-en-1-one , (2Z)-2,6,6-trimethyl-9-methylidene-cycloundec-2-en-1-one
Smiles: C=C1CCC(=O)C(=CCCC(CC1)(C)C)C
InChi : InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6H,1,5,7-11H2,2-4H3/b13-6-
InChi Key : InChIKey=ODYWEDCMANZQIY-MLPAPPSSSA-N
PubChem ID : 6429046
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.741667
Hydrogen bond donor count : 0 Electric dipole moment : 2.578
XLogP : 4.537 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.084000
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'
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