![Pregnan-17-ol, 3,20-bis[(trimethylsilyl)oxy]-, (3«alpha»,5«beta»,20S)-](/cid/15-371-3/Pregnan-17-ol-3-20-bis-trimethylsilyl-oxy-3-alpha-5-beta-20S.png "Pregnan-17-ol, 3,20-bis[(trimethylsilyl)oxy]-, (3«alpha»,5«beta»,20S)-")
- InChI
- InChI=1S/C27H52O3Si2/c1-19(29-31(4,5)6)27(28)17-14-24-22-11-10-20-18-21(30-32(7,8)9)12-15-25(20,2)23(22)13-16-26(24,27)3/h19-24,28H,10-18H2,1-9H3
- InChI Key
- PYOLIIABYCOZPT-UHFFFAOYSA-N
- Formula
- C27H52O3Si2
- SMILES
-
CC(O[Si](C)(C)C)C1(O)CCC2C3CCC
4CC(O[Si](C)(C)C)CCC4(C)C3CCC2 1C - Molecular Weight1
- 480.87
- CAS
- 17562-94-6
- Other Names
-
- 5«beta»-Pregnan-17-ol, 3«alpha»,20«alpha»-bis(trimethylsiloxy)-
- 3«alpha»,20«alpha»-Bis-trimethylsilyl-ether of 5«beta»-pregnane-3«alpha»,17«alpha»,20«alpha»-triol
- 3,20-Bis[(trimethylsilyl)oxy]pregnan-17-ol-, (3«alpha»,5«beta»,20S)-
- (3«alpha»,5«beta»)-3,20-Bis[(Trimethylsilyl)oxy]pregnan-17-ol
- 5«beta»-Pregnane-3«alpha»,17«alpha»,20«alpha»-triol, (3,20-O)-diTMSi
- 5«beta»-pregnane-3«alpha»,17«alpha»,20«beta»-triol, 3,20-bis-TMS
- Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20s)-, 2tms derivative
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7206 | Relay (... Calculated Property | |
| ΔfG° | -77.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -969.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 117.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -5.91 | Relay (... Calculated Property | |
| logPoct/wat | 7.220 | Crippen Calculated Property | |
| Pc | 222.84 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2890.00; 2988.60] |
|
|
| Inp | 2920.00 | NIST | |
| Inp | 2954.00 | NIST | |
| Inp | 2890.00 | NIST | |
| Inp | 2988.60 | NIST | |
| Tboil | 684.30 | K | Relay (... Calculated Property |
| Tc | 954.58 | K | Relay (... Calculated Property |
| Tfus | 417.36 | K | Relay (... Calculated Property |
| Vc | 1.567 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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