- InChI
- InChI=1S/C24H42N2O3Si/c1-23-13-12-17(29-30(5,6)7)14-16(23)8-9-18-19-10-11-21(26-28-4)24(19,2)15-20(22(18)23)25-27-3/h16-19,22H,8-15H2,1-7H3/b25-20+,26-21+/t16-,17-,18?,19?,22?,23+,24+/m0/s1
- InChI Key
- CZAVIQKBQLKTIH-OUBBBTIISA-N
- Formula
- C24H42N2O3Si
- SMILES
-
CON=C1CC2(C)C(=NOC)CCC2C2CCC3C
C(O[Si](C)(C)C)CCC3(C)C12 - Molecular Weight1
- 434.69
- Other Names
-
- 11-oxoetiocholanolone, 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 5.864 | Crippen Calculated Property | |
| Inp | [2601.00; 2656.00] |
|
|
| Inp | 2656.00 | NIST | |
| Inp | 2627.00 | NIST | |
| Inp | 2630.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Inp | 2632.00 | NIST | |
| Inp | 2636.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Inp | 2601.00 | NIST | |
| Inp | 2601.00 | NIST | |
| Inp | 2627.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Inp | 2656.00 | NIST |
Similar Compounds
Find more compounds similar to 11-Ketoetiocholanolone MO TMS.
Sources
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