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Cyclooctyl alcohol
ScientificNameLabel
Cyclooctyl alcohol
PHCD compound ID :
1250
Chemical Names :
Cyclooctyl alcohol
Molecular Formula :
C8H16O1
Molecular Weight :
128.120115
More Details :
Names & Synonyms:
cyclooctanol
Smiles:
OC1CCCCCCC1
InChi :
InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
InChi Key :
InChIKey=FHADSMKORVFYOS-UHFFFAOYSA-N
PubChem ID :
12766
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.247667
Hydrogen bond donor count :
1
Electric dipole moment :
1.810
XLogP :
2.467
VDW volume :
143.358104
Molecular weight :
128.120115
HOMO-LUMO gap :
13.283000
Herb list :
Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ
Refrences & Litretures:
130. Journal:'J. Sci. Res' Year:'2009' Volume:'1' Page:'387' DOI:'10.3329/jsr.v1i2.1760' Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
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