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2,5,5-Trimethyl-3-hexyn-2-ol
PHCD compound ID : 5199
Chemical Names :
2,5,5-Trimethyl-3-hexyn-2-ol
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: 2,5,5-trimethylhex-3-yn-2-ol , 2,5,5-trimethyl-3-hexyn-2-ol
Smiles: CC(C#CC(O)(C)C)(C)C
InChi : InChI=1S/C9H16O/c1-8(2,3)6-7-9(4,5)10/h10H,1-5H3
InChi Key : InChIKey=DKUUKNHZNHMLIW-UHFFFAOYSA-N
PubChem ID : 274464
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.258249
Hydrogen bond donor count : 1 Electric dipole moment : 2.306
XLogP : 2.384 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 11.599000
Herb list :
Refrences & Litretures:
  
823.      Journal:'Asian J Pharm Clin Res'      Year:'2019'      Volume:'12'      Page:'124'      DOI:'10.22159/ajpcr.2019.v12i1.28418'      Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
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