frescolat MGA   Click here for help

GtoPdb Ligand ID: 2465

Synonyms: menthone 1,2-glycerol ketal
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 38.69
Molecular weight 228.17
XLogP 2.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1COC2(O1)CC(C)CCC2C(C)C
Isomeric SMILES OCC1COC2(O1)CC(C)CCC2C(C)C
InChI InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3
InChI Key ZBJCYZPANVLBRK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl)methanol
Synonyms Click here for help
menthone 1,2-glycerol ketal
Database Links Click here for help
GtoPdb PubChem SID 53801001
PubChem CID 162184
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