About (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene
(Z)-1-(2-ethoxyethylsulfanyl)but-1-ene (PubChem CID 10607063) has the molecular formula C8H16OS
and a molecular weight of 160.28 g/mol. Its IUPAC name is (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene.
Molecular Properties
| Compound Name | (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene |
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| PubChem CID | 10607063 |
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| Molecular Formula | C8H16OS |
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| Molecular Weight | 160.28 g/mol |
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| Exact Mass | 160.09 |
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| IUPAC Name | (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene |
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| SMILES | CC/C=C\SCCOCC |
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| InChI | InChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5- |
|---|
| InChIKey | MTRMJJFCLXBUQU-ALCCZGGFSA-N |
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| XLogP | 2.68 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 160.28 |
| LogP ≤ 5 | 2.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene?
The IUPAC name of (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene (CID 10607063) is (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene.
What is the SMILES notation for (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene?
The canonical SMILES for (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene is CC/C=C\SCCOCC.
What is the InChIKey of (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene?
The InChIKey is MTRMJJFCLXBUQU-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-5-7-10-8-6-9-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-.
What are the key properties of (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene?
(Z)-1-(2-ethoxyethylsulfanyl)but-1-ene has a molecular weight of 160.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethoxyethylsulfanyl)but-1-ene is sourced from PubChem (CID 10607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).