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ScientificNameLabel
Isopropyl laurate
PHCD compound ID : 3951
Chemical Names :
Isopropyl laurate , Isopropyl dodecanoate
Molecular Formula : C15H30O2
Molecular Weight : 242.22458
More Details :
Names & Synonyms: isopropyl dodecanoate , dodecanoic acid propan-2-yl ester , propan-2-yl dodecanoate , lauric acid isopropyl ester
Smiles: CCCCCCCCCCCC(=O)OC(C)C
InChi : InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChi Key : InChIKey=UJPPXNXOEVDSRW-UHFFFAOYSA-N
PubChem ID : 25068
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.629227
Hydrogen bond donor count : 0 Electric dipole moment : 1.986
XLogP : 6.498 VDW volume : 282.940223
Molecular weight : 242.22458 HOMO-LUMO gap : 11.894000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
875.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'183'      DOI:'10.1080/10412905.2007.9699255'      Title:'olatile Constituents and Antimicrobial Activity of Tilia tomentosa Moench and Tilia cordata Miller Oils'
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