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Compound: 5546
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5-Methyldecane
ScientificNameLabel
5-Methyldecane
PHCD compound ID :
5439
Chemical Names :
5-Methyldecane
Molecular Formula :
C11H24
Molecular Weight :
156.187801
More Details :
Names & Synonyms:
5-methyldecane
Smiles:
CCCCC[C@@H](CCCC)C
InChi :
InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3/t11-/m1/s1
InChi Key :
InChIKey=QUYFPNWYGLFQQU-LLVKDONJSA-N
PubChem ID :
93071
Rotatable bond count :
7
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.761470
Hydrogen bond donor count :
0
Electric dipole moment :
0.109
XLogP :
6.538
VDW volume :
198.81229
Molecular weight :
156.187801
HOMO-LUMO gap :
14.708000
Herb list :
Cornelian cherry, Dogwood - Cornus mas - زغال اخته، ذغال اخته
Refrences & Litretures:
903. Journal:'Chemistry of Natural Compounds' Year:'2011' Volume:'47' Page:'646' DOI:'10.1007/s10600-011-0020-4' Title:'Constituent composition of essential oil from Cornus mas flowers'
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