cis-1,1-dimethylspiro[4,5]decane
CNP0611442.0 · C12H22 · View on COCONUT ↗
Identifiers
| Name | cis-1,1-dimethylspiro[4,5]decane |
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| IUPAC Name | 4,4-dimethylspiro[4.5]decane |
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| COCONUT ID | CNP0611442.0 |
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| InChIKey | UIHLOJAKTQQLDU-UHFFFAOYSA-N |
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| InChI | InChI=1S/C12H22/c1-11(2)7-6-10-12(11)8-4-3-5-9-12/h3-10H2,1-2H3 |
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| SMILES | CC1(C)CCCC12CCCCC2 |
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Properties
| Molecular Formula | C12H22 |
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| Molecular Weight | 166.31 |
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| Exact Mass | 166.17215 |
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| Log P (ALogP) | 4.15 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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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 | 0.51 |
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| NP-likeness | 1.34 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Chamigrane sesquiterpenoids |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
