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2,6-dimethyl dodecan-10-oyl-12,15-olide
PHCD compound ID : 3418
Chemical Names :
2,6-dimethyl dodecan-10-oyl-12,15-olide
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms:
Smiles: C[C@@H](CCCC(C)C)CCC[C@H]1CCOC1=O
InChi : InChI=1S/C15H28O2/c1-12(2)6-4-7-13(3)8-5-9-14-10-11-17-15(14)16/h12-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChi Key : InChIKey=HZADBEBSSAVAIP-KBPBESRZSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.509986
Hydrogen bond donor count : 0 Electric dipole moment : 4.482
XLogP : 6.08 VDW volume : 270.583764
Molecular weight : 240.20893 HOMO-LUMO gap : 11.628000
Herb list :
Refrences & Litretures:
  
476.      Journal:'J. Pharm. BioSci'      Year:'2014'      Volume:'1'      Page:'1'      DOI:''      Title:'Phytochemical investigation of the aerial parts of Fumaria parviflora Lam'
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