- InChI
- InChI=1S/C25H40O5Si/c1-16-14-24-15-25(16,30-31(6,7)8)13-10-17(24)22(2)11-9-12-23(3,21(27)29-5)19(22)18(24)20(26)28-4/h17-19H,1,9-15H2,2-8H3/t17?,18-,19?,22+,23?,24+,25+/m1/s1
- InChI Key
- TVWDMRKJNXNYSE-KAHVLJCKSA-N
- Formula
- C25H40O5Si
- SMILES
-
C=C1C[C@]23C[C@@]1(O[Si](C)(C)
C)CCC2[C@]1(C)CCCC(C)(C(=O)OC) C1[C@@H]3C(=O)OC - Molecular Weight1
- 448.68
- Other Names
-
- GA53, methyl ester TMS ether
- Gibberellin GA53, methyl ester trimethylsilyl ether
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| logPoct/wat | 5.112 | Crippen Calculated Property | |
| Inp | [2450.00; 2544.00] |
|
|
| Inp | 2490.00 | NIST | |
| Inp | 2503.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2493.00 | NIST | |
| Inp | 2503.00 | NIST | |
| Inp | 2464.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Inp | Outlier 2450.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Inp | 2497.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Inp | 2516.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Inp | 2497.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Inp | 2508.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2493.00 | NIST | |
| Inp | 2497.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Inp | Outlier 2540.00 | NIST | |
| Inp | Outlier 2544.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2532.00 | NIST | |
| Inp | 2498.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2508.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Inp | 2503.00 | NIST | |
| Inp | 2468.00 | 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, Log10 of Water solubility in mol/l 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
Find more compounds similar to GA53, MeTMS.
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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that the value is more than 2 standard deviations away from the
property mean.
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