(4~{S})-1,7,7-trimethylnorbornan-2-one
CNP0273956.3 · C10H16O · View on COCONUT ↗
Identifiers
| IUPAC Name | (4~{S})-1,7,7-trimethylnorbornan-2-one |
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| COCONUT ID | CNP0273956.3 |
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| InChIKey | DSSYKIVIOFKYAU-BYDSUWOYSA-N |
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| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10?/m0/s1 |
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| SMILES | CC12CC[C@@H](CC1=O)C2(C)C |
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Properties
| Molecular Formula | C10H16O |
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| Molecular Weight | 152.24 |
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| Exact Mass | 152.12012 |
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| Log P (ALogP) | 2.40 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.52 |
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| NP-likeness | 2.07 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Camphane 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.
