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Compound: 5546
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m-camphorene
ScientificNameLabel
m-camphorene
PHCD compound ID :
5320
Chemical Names :
m-camphorene
Molecular Formula :
C20H32
Molecular Weight :
272.250401
More Details :
Names & Synonyms:
5-(5-methyl-1-methylene-hex-4-enyl)-1-(4-methylpent-3-enyl)cyclohexene , 5-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpent-3-enyl)cyclohexene
Smiles:
CC(=CCCC1=CCC[C@@H](C1)C(=C)CCC=C(C)C)C
InChi :
InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3/t20-/m0/s1
InChi Key :
InChIKey=OIRFZVJHADZVMD-FQEVSTJZSA-N
PubChem ID :
5315649
Rotatable bond count :
7
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.044269
Hydrogen bond donor count :
0
Electric dipole moment :
0.955
XLogP :
7.373
VDW volume :
331.573858
Molecular weight :
272.250401
HOMO-LUMO gap :
10.161000
Herb list :
Juniper - Juniperus communis L - پیرو، اربس
Refrences & Litretures:
862. Journal:'Antioxidants' Year:'2014' Volume:'3' Page:'81' DOI:'10.3390/antiox3010081' Title:'Chemical Composition and Antioxidant Properties of Juniper Berry (Juniperus communis L.) Essential Oil. Action of the Essential Oil on the Antioxidant Protection of Saccharomyces cerevisiae Model Organism'
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