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isopropylcyclopentane
ScientificNameLabel
isopropylcyclopentane
PHCD compound ID :
4379
Chemical Names :
isopropylcyclopentane
Molecular Formula :
C8H16
Molecular Weight :
112.125201
More Details :
Names & Synonyms:
isopropylcyclopentane , propan-2-ylcyclopentane
Smiles:
CC(C1CCCC1)C
InChi :
InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChi Key :
InChIKey=TVSBRLGQVHJIKT-UHFFFAOYSA-N
PubChem ID :
19751
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
10.848820
Hydrogen bond donor count :
0
Electric dipole moment :
0.104
XLogP :
4.43
VDW volume :
134.567877
Molecular weight :
112.125201
HOMO-LUMO gap :
14.627000
Herb list :
Cow-parsnip - Heracleum persicum - گلپر
Refrences & Litretures:
650. Journal:'Span J Agric Res' Year:'2014' Volume:'12' Page:'1166' DOI:'10.5424/sjar/2014124-6527' Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
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