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Compound: 5546
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7,11-Dimethylheptadecane
ScientificNameLabel
7,11-Dimethylheptadecane
PHCD compound ID :
630
Chemical Names :
7,11-Dimethylheptadecane
Molecular Formula :
C19H40
Molecular Weight :
268.313001
More Details :
Names & Synonyms:
7,11-dimethylheptadecane
Smiles:
CCCCCC[C@H](CCC[C@@H](CCCCCC)C)C
InChi :
InChI=1S/C19H40/c1-5-7-9-11-14-18(3)16-13-17-19(4)15-12-10-8-6-2/h18-19H,5-17H2,1-4H3/t18-,19-/m1/s1
InChi Key :
InChIKey=GGYJTGMZQZYIOE-RTBURBONSA-N
PubChem ID :
6430044
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.608056
Hydrogen bond donor count :
0
Electric dipole moment :
0.126
XLogP :
11.029
VDW volume :
337.180167
Molecular weight :
268.313001
HOMO-LUMO gap :
14.546000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
36. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'316' DOI:'10.1080/0972060X.2010.10643827' Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
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