About 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane
3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane (PubChem CID 160601061) has the molecular formula C54H102O15
and a molecular weight of 991.39 g/mol. Its IUPAC name is 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane.
Molecular Properties
| Compound Name | 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane |
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| PubChem CID | 160601061 |
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| Molecular Formula | C54H102O15 |
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| Molecular Weight | 991.39 g/mol |
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| Exact Mass | 990.72 |
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| IUPAC Name | 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane |
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| SMILES | CCC1(COC(C)COCC(C)OCC2(CC)COC2)COC1.CCC1(COCC(C)OC(C)COCC2(CC)COC2)COC1.CCC1(COCC(C)OCC(C)OCC2(CC)COC2)COC1 |
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| InChI | InChI=1S/3C18H34O5/c1-5-17(11-21-12-17)9-19-7-15(3)23-16(4)8-20-10-18(6-2)13-22-14-18;1-5-17(9-20-10-17)13-22-15(3)7-19-8-16(4)23-14-18(6-2)11-21-12-18;1-5-17(10-20-11-17)9-19-7-15(3)22-8-16(4)23-14-18(6-2)12-21-13-18/h3*15-16H,5-14H2,1-4H3 |
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| InChIKey | REGXZFZXVZLEMZ-UHFFFAOYSA-N |
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| XLogP | 8.00 |
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| TPSA | 138.45 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 36 |
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| Heavy Atoms | 69 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 991.39 |
| LogP ≤ 5 | 8.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Analyze 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane (CID 160601061) is 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane is CCC1(COC(C)COCC(C)OCC2(CC)COC2)COC1.CCC1(COCC(C)OC(C)COCC2(CC)COC2)COC1.CCC1(COCC(C)OCC(C)OCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane?
The InChIKey is REGXZFZXVZLEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H34O5/c1-5-17(11-21-12-17)9-19-7-15(3)23-16(4)8-20-10-18(6-2)13-22-14-18;1-5-17(9-20-10-17)13-22-15(3)7-19-8-16(4)23-14-18(6-2)11-21-12-18;1-5-17(10-20-11-17)9-19-7-15(3)22-8-16(4)23-14-18(6-2)12-21-13-18/h3*15-16H,5-14H2,1-4H3.
What are the key properties of 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane?
3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane has a molecular weight of 991.39 g/mol, XLogP of 8.00, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propan-2-yloxymethyl]oxetane;3-ethyl-3-[2-[1-[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxy]propoxymethyl]oxetane;3-ethyl-3-[1-[2-[(3-ethyloxetan-3-yl)methoxy]propoxy]propan-2-yloxymethyl]oxetane is sourced from PubChem (CID 160601061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).