- InChI
- InChI=1S/C21H29NO4Si/c1-22-11-10-20-17-13-6-7-15(24-2)18(17)25-19(20)14(23)8-9-21(20,16(22)12-13)26-27(3,4)5/h6-7,16,19H,8-12H2,1-5H3
- InChI Key
- WFDDQATWISHSQB-UHFFFAOYSA-N
- Formula
- C21H29NO4Si
- SMILES
-
COc1ccc2c3c1OC1C(=O)CCC4(O[Si]
(C)(C)C)C(C2)N(C)CCC314 - Molecular Weight1
- 387.54
- CAS
- 221209-10-5
- Other Names
-
- Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-14-[(trimethylsilyl)oxy]-, (5«alpha»)-
- Oxycodone, mono-TMS
- Oxycodone TMS
- Oxycodone, keto-mono-TMS
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7040 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -579.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.907 | Crippen Calculated Property | |
| Pc | 841.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 673.24 | K | Relay (1.0) Calculated Property |
| Tc | 972.32 | K | Relay (1.0) Calculated Property |
| Tfus | 396.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.122 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxycodone TMS derivative.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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