1-diethoxyphosphorylhexane
CNP0173940.0 · C10H23O3P · View on COCONUT ↗
Identifiers
| Name | 1-diethoxyphosphorylhexane |
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| IUPAC Name | 1-diethoxyphosphorylhexane |
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| COCONUT ID | CNP0173940.0 |
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| CAS | 16165-66-5 |
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| InChIKey | VVUJWLDQIIFQHI-UHFFFAOYSA-N |
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| InChI | InChI=1S/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3 |
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| SMILES | CCCCCCP(=O)(OCC)OCC |
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Properties
| Molecular Formula | C10H23O3P |
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| Molecular Weight | 222.26 |
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| Exact Mass | 222.13848 |
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| Log P (ALogP) | 3.83 |
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| TPSA | 35.53 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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| Rotatable Bonds | 9 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.44 |
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| NP-likeness | 0.12 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organic acids and derivatives |
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| Chemical Class | Organic phosphonic acids and derivatives |
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| Chemical Subclass | Phosphonic acid diesters |
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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.
