About (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (PubChem CID 70389737) has the molecular formula C30H56O4Si
and a molecular weight of 508.86 g/mol. Its IUPAC name is (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.
Molecular Properties
| Compound Name | (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid |
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| PubChem CID | 70389737 |
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| Molecular Formula | C30H56O4Si |
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| Molecular Weight | 508.86 g/mol |
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| Exact Mass | 508.39 |
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| IUPAC Name | (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid |
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| SMILES | CCCCCCCCCC(CCC1=CCC(O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C30H56O4Si/c1-7-8-9-10-11-12-15-18-26(34-35(5,6)30(2,3)4)23-21-25-22-24-28(31)27(25)19-16-13-14-17-20-29(32)33/h13,16,22,26-28,31H,7-12,14-15,17-21,23-24H2,1-6H3,(H,32,33)/b16-13-/t26?,27-,28?/m1/s1 |
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| InChIKey | OFTRWENAAPEFEF-UKFCMRRESA-N |
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| XLogP | 8.81 |
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| TPSA | 66.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 508.86 |
| LogP ≤ 5 | 8.81 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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 (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid (CID 70389737) is (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is CCCCCCCCCC(CCC1=CCC(O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
The InChIKey is OFTRWENAAPEFEF-UKFCMRRESA-N. The full InChI is InChI=1S/C30H56O4Si/c1-7-8-9-10-11-12-15-18-26(34-35(5,6)30(2,3)4)23-21-25-22-24-28(31)27(25)19-16-13-14-17-20-29(32)33/h13,16,22,26-28,31H,7-12,14-15,17-21,23-24H2,1-6H3,(H,32,33)/b16-13-/t26?,27-,28?/m1/s1.
What are the key properties of (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid?
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid has a molecular weight of 508.86 g/mol, XLogP of 8.81, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxydodecyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 70389737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).