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Compound: 5546
Plants: 312
References: 992
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2-Methylundecanal
ScientificNameLabel
2-Methylundecanal
PHCD compound ID :
3129
Chemical Names :
2-Methylundecanal , 2-methyl-undecanal , 2-Methyl undecanal
Molecular Formula :
C12H24O1
Molecular Weight :
184.182715
More Details :
Names & Synonyms:
2-methylundecanal
Smiles:
CCCCCCCCC[C@H](C=O)C
InChi :
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChi Key :
InChIKey=NFAVNWJJYQAGNB-GFCCVEGCSA-N
PubChem ID :
61031
Rotatable bond count :
9
Rule of five :
1
Hydrogen bond acceptor count :
1
Ionization potential :
9.991302
Hydrogen bond donor count :
0
Electric dipole moment :
3.195
XLogP :
5.432
VDW volume :
222.262042
Molecular weight :
184.182715
HOMO-LUMO gap :
10.742000
Herb list :
Artichoke - Cynara scolymus - کنگر فرنگی، آرتیشو
Cubeb pepper, Cubeb - Piper cubeba - کبابه، کبابه چینی
Rue - Ruta graveolens - سداب
Refrences & Litretures:
426. Journal:'Jordan Journal of Biological Sciences' Year:'2015' Volume:'8' Page:'139' DOI:'' Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
428. Journal:'World Appl. Sci. J' Year:'2009' Volume:'7' Page:'124' DOI:'' Title:'Volatile Composition of Ruta graveolens L. of North of Iran'
577. Journal:'J. Essent. Oil Res' Year:'2007' Volume:'19' Page:'14' DOI:'10.1080/10412905.2007.9699217' Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
605. Journal:'J Sci Food Agric' Year:'2013' Volume:'93' Page:'2494' DOI:'10.1002/jsfa.6065' Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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