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3,4-Dimethyl-5-pentylidene-2(5H)-furanone
PHCD compound ID : 4282
Chemical Names :
3,4-Dimethyl-5-pentylidene-2(5H)-furanone
Molecular Formula : C11H16O2
Molecular Weight : 180.11503
More Details :
Names & Synonyms: (5E)-3,4-dimethyl-5-pentylidene-furan-2-one , (5E)-3,4-dimethyl-5-pentylidene-2-furanone , (5E)-3,4-dimethyl-5-pentylidenefuran-2-one
Smiles: CCCC/C=C\1/OC(=O)C(=C1C)C
InChi : InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+
InChi Key : InChIKey=MTQPZHNZYWAXEH-JXMROGBWSA-N
PubChem ID : 6433214
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.283976
Hydrogen bond donor count : 0 Electric dipole moment : 5.387
XLogP : 2.951 VDW volume : 196.126908
Molecular weight : 180.11503 HOMO-LUMO gap : 8.452000
Herb list :
Refrences & Litretures:
  
617.      Journal:'Bull Environ Contam Toxicol'      Year:'2012'      Volume:'88'      Page:'666'      DOI:'10.1007/s00128-012-0535-9'      Title:'Chemical Composition and In Vitro Cytotoxic, Genotoxic Effects of Essential Oil from Urtica dioica L'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
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