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ScientificNameLabel
alpha-Terpinyl Butanoate
PHCD compound ID : 4818
Chemical Names :
alpha-Terpinyl Butanoate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] butanoate , butanoic acid 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl ester , 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate , butyric acid [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] ester
Smiles: CCCC(=O)OC([C@@H]1CCC(=CC1)C)(C)C
InChi : InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChi Key : InChIKey=LWKWNIYBQLKBMQ-LBPRGKRZSA-N
PubChem ID : 578423
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.144743
Hydrogen bond donor count : 0 Electric dipole moment : 2.004
XLogP : 3.931 VDW volume : 250.651321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.510000
Herb list :
Refrences & Litretures:
  
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
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