- InChI
- InChI=1S/C33H58OSi/c1-24(2)13-11-14-26(4)30-20-21-31-27(15-12-22-33(30,31)8)17-18-28-23-29(19-16-25(28)3)34-35(9,10)32(5,6)7/h17-18,24,26,29-31H,3,11-16,19-23H2,1-2,4-10H3/b27-17+,28-18-
- InChI Key
- DWIUSINKAVTSCC-QYEWKMJJSA-N
- Formula
- C33H58OSi
- SMILES
-
C=C1CCC(O[Si](C)(C)C(C)(C)C)CC
1=CC=C1CCCC2(C)C1CCC2C(C)CCCC( C)C - Molecular Weight1
- 498.90
- Other Names
-
- (3S,5Z,7E)-3-Pyrrol[tert-butyl(dimethyl)silyl]oxymorpho-9,10-secocholesta-5,7,10-triene
- Cholecalciferol, tbdms derivative
- 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 | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 10.649 | Crippen Calculated Property | |
| Inp | [3228.20; 3228.20] |
|
|
| Inp | 3228.20 | NIST | |
| Inp | 3228.20 | NIST |
Similar Compounds
Find more compounds similar to Cholecalciferol, tert-butyldimethylsilyl ether.
Sources
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