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3,7-Dimethylnonane
ScientificNameLabel
3,7-Dimethylnonane
PHCD compound ID :
1508
Chemical Names :
3,7-Dimethylnonane
Molecular Formula :
C11H24
Molecular Weight :
156.187801
More Details :
Names & Synonyms:
3,7-dimethylnonane
Smiles:
CC[C@H](CCC[C@H](CC)C)C
InChi :
InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3/t10-,11+
InChi Key :
InChIKey=YGPVLXJHRFZYJJ-PHIMTYICSA-N
PubChem ID :
28458
Rotatable bond count :
6
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.714966
Hydrogen bond donor count :
0
Electric dipole moment :
0.059
XLogP :
6.477
VDW volume :
198.81229
Molecular weight :
156.187801
HOMO-LUMO gap :
14.638000
Herb list :
Violet - Viola odorata - بنفشه معطر، بنفشه
Refrences & Litretures:
162. Journal:'Phytochemistry' Year:'1992' Volume:'31' Page:'571' DOI:'' Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
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