![Pregn-5-en-20-one, 3,16-bis[(trimethylsilyl)oxy]-, O-methyloxime, (3«beta»,16«alpha»)-](/cid/124-647-6/Pregn-5-en-20-one-3-16-bis-trimethylsilyl-oxy-O-methyloxime-3-beta-16-alpha.png "Pregn-5-en-20-one, 3,16-bis[(trimethylsilyl)oxy]-, O-methyloxime, (3«beta»,16«alpha»)-")
- InChI
- InChI=1S/C28H51NO3Si2/c1-19(29-30-4)26-25(32-34(8,9)10)18-24-22-12-11-20-17-21(31-33(5,6)7)13-15-27(20,2)23(22)14-16-28(24,26)3/h11,21-26H,12-18H2,1-10H3/t21-,22+,23-,24-,25+,26-,27-,28-/m1/s1
- InChI Key
- YBQIXFAIJNZVRV-DZZATQCDSA-N
- Formula
- C28H51NO3Si2
- SMILES
-
CON=C(C)C1C(O[Si](C)(C)C)CC2C3
CC=C4CC(O[Si](C)(C)C)CCC4(C)C3 CCC21C - Molecular Weight1
- 505.88
- CAS
- 57305-31-4
- Other Names
-
- 16«alpha»-Hydroxypregnenolone, MO-TMS
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.638 | Crippen Calculated Property | |
| Inp | [2999.00; 2999.00] |
|
|
| Inp | 2999.00 | NIST | |
| Inp | 2999.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.