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Compound: 5546
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References: 992
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Decane-4-methyl
ScientificNameLabel
Decane-4-methyl
PHCD compound ID :
1366
Chemical Names :
Decane-4-methyl
Molecular Formula :
C11H24
Molecular Weight :
156.187801
More Details :
Names & Synonyms:
4-methyldecane
Smiles:
CCCCCC[C@H](CCC)C
InChi :
InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3/t11-/m0/s1
InChi Key :
InChIKey=DVWZNKLWPILULD-NSHDSACASA-N
PubChem ID :
17835
Rotatable bond count :
7
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.779717
Hydrogen bond donor count :
0
Electric dipole moment :
0.058
XLogP :
6.538
VDW volume :
198.81229
Molecular weight :
156.187801
HOMO-LUMO gap :
14.692000
Herb list :
Rice - Oryza sativa - برنج
Refrences & Litretures:
145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
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