About (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate
(2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate (PubChem CID 175965653) has the molecular formula C24H48O4Si
and a molecular weight of 428.73 g/mol. Its IUPAC name is (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate.
Molecular Properties
| Compound Name | (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate |
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| PubChem CID | 175965653 |
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| Molecular Formula | C24H48O4Si |
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| Molecular Weight | 428.73 g/mol |
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| Exact Mass | 428.33 |
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| IUPAC Name | (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate |
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| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(C(O)CO)[Si](C)(C)C |
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| InChI | InChI=1S/C24H48O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)28-24(22(26)21-25)29(2,3)4/h12-13,22,24-26H,5-11,14-21H2,1-4H3/b13-12- |
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| InChIKey | UJPIBFMRQHPRHK-SEYXRHQNSA-N |
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| XLogP | 6.17 |
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| TPSA | 66.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 428.73 |
| LogP ≤ 5 | 6.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate?
The IUPAC name of (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate (CID 175965653) is (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate.
What is the SMILES notation for (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate?
The canonical SMILES for (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OC(C(O)CO)[Si](C)(C)C.
What is the InChIKey of (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate?
The InChIKey is UJPIBFMRQHPRHK-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)28-24(22(26)21-25)29(2,3)4/h12-13,22,24-26H,5-11,14-21H2,1-4H3/b13-12-.
What are the key properties of (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate?
(2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate has a molecular weight of 428.73 g/mol, XLogP of 6.17, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate is sourced from PubChem (CID 175965653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).