About 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane
1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane (PubChem CID 121330249) has the molecular formula C7H14OS
and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane.
Molecular Properties
| Compound Name | 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane |
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| PubChem CID | 121330249 |
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| Molecular Formula | C7H14OS |
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| Molecular Weight | 146.25 g/mol |
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| Exact Mass | 146.08 |
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| IUPAC Name | 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane |
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| SMILES | C/C=C\SCOCCC |
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| InChI | InChI=1S/C7H14OS/c1-3-5-8-7-9-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4- |
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| InChIKey | AIEBULGFXTXBKP-XQRVVYSFSA-N |
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| XLogP | 2.64 |
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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 | 5 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 146.25 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane?
The IUPAC name of 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane (CID 121330249) is 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane.
What is the SMILES notation for 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane?
The canonical SMILES for 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane is C/C=C\SCOCCC.
What is the InChIKey of 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane?
The InChIKey is AIEBULGFXTXBKP-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-8-7-9-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane?
1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane has a molecular weight of 146.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane is sourced from PubChem (CID 121330249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).