C33H54CrO9Si2 — CID 11093738
carbon monoxide;[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium (PubChem CID 11093738) has the molecular formula C33H54CrO9Si2 and a molecular weight of 702.95 g/mol. Its IUPAC name is carbon monoxide;[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium.
| Compound Name | carbon monoxide;[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium |
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| PubChem CID | 11093738 |
| Molecular Formula | C33H54CrO9Si2 |
| Molecular Weight | 702.95 g/mol |
| Exact Mass | 702.27 |
| IUPAC Name | carbon monoxide;[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium |
| SMILES | CCOC(=[Cr])/C=C1/C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
| InChI | InChI=1S/C28H54O4Si2.5CO.Cr/c1-14-29-18-17-26-15-16-27(32-34(23(8)9,24(10)11)25(12)13)28(31-26)19-30-33(20(2)3,21(4)5)22(6)7;5*1-2;/h15-17,20-25,27-28H,14,19H2,1-13H3;;;;;;/b26-17-;;;;;;/t27-,28+;;;;;;/m0....../s1 |
| InChIKey | FKVWJGDKRWMCPE-VSRDTXLYSA-N |
| XLogP | 8.10 |
| TPSA | 136.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 45 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 702.95 |
| LogP ≤ 5 | 8.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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