C30H54O14 — CID 102203586
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 102203586) has the molecular formula C30H54O14 and a molecular weight of 638.75 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate.
| Compound Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate |
|---|---|
| PubChem CID | 102203586 |
| Molecular Formula | C30H54O14 |
| Molecular Weight | 638.75 g/mol |
| Exact Mass | 638.35 |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate |
| SMILES | C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C |
| InChI | InChI=1S/C30H54O14/c1-3-5-32-6-7-33-8-9-34-10-11-35-12-13-36-14-15-37-16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-28-29-44-30(31)4-2/h1,4H,2,5-29H2 |
| InChIKey | PITQSBLXSFVHNR-UHFFFAOYSA-N |
| XLogP | 0.55 |
| TPSA | 137.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 44 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 638.75 |
| LogP ≤ 5 | 0.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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