l-Menthyl propionate
CNP0083181.1 · C13H24O2 · View on COCONUT ↗
Identifiers
| Name | l-Menthyl propionate |
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| IUPAC Name | [(1~{R},2~{S},5~{R})-2-isopropyl-5-methyl-cyclohexyl] propanoate |
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| COCONUT ID | CNP0083181.1 |
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| CAS | 4951-48-8 |
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| InChIKey | PELLUIPPBKHUAB-GRYCIOLGSA-N |
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| InChI | InChI=1S/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1 |
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| SMILES | CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C |
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Properties
| Molecular Formula | C13H24O2 |
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| Molecular Weight | 212.33 |
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| Exact Mass | 212.17763 |
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| Log P (ALogP) | 3.40 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.67 |
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| NP-likeness | 1.16 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Menthane monoterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Prenol lipids |
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| Chemical Subclass | Monoterpenoids |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
