About 1-dec-1-enoxydec-1-ene
1-dec-1-enoxydec-1-ene (PubChem CID 54362454) has the molecular formula C20H38O
and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-dec-1-enoxydec-1-ene.
Molecular Properties
| Compound Name | 1-dec-1-enoxydec-1-ene |
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| PubChem CID | 54362454 |
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| Molecular Formula | C20H38O |
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| Molecular Weight | 294.52 g/mol |
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| Exact Mass | 294.29 |
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| IUPAC Name | 1-dec-1-enoxydec-1-ene |
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| SMILES | CCCCCCCCC=COC=CCCCCCCCC |
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| InChI | InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3 |
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| InChIKey | UNLGYPABJRPIOY-UHFFFAOYSA-N |
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| XLogP | 7.53 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 294.52 |
| LogP ≤ 5 | 7.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-dec-1-enoxydec-1-ene?
The IUPAC name of 1-dec-1-enoxydec-1-ene (CID 54362454) is 1-dec-1-enoxydec-1-ene.
What is the SMILES notation for 1-dec-1-enoxydec-1-ene?
The canonical SMILES for 1-dec-1-enoxydec-1-ene is CCCCCCCCC=COC=CCCCCCCCC.
What is the InChIKey of 1-dec-1-enoxydec-1-ene?
The InChIKey is UNLGYPABJRPIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-dec-1-enoxydec-1-ene?
1-dec-1-enoxydec-1-ene has a molecular weight of 294.52 g/mol, XLogP of 7.53, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-enoxydec-1-ene is sourced from PubChem (CID 54362454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).