cooling agent 10   Click here for help

GtoPdb Ligand ID: 2463

Synonyms: (-)-menthoxypropane-1,2-diol
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 2
Rotatable bonds 5
Topological polar surface area 49.69
Molecular weight 230.19
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(COC1CC(C)CCC1C(C)C)O
Isomeric SMILES OCC(COC1CC(C)CCC1C(C)C)O
InChI InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
InChI Key MDVYIGJINBYKOM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
Synonyms Click here for help
(-)-menthoxypropane-1,2-diol
Database Links Click here for help
GtoPdb PubChem SID 53801004
PubChem CID 5362595
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Wikipedia Menthoxypropanediol