About 5-methoxypent-2-ene
5-methoxypent-2-ene (PubChem CID 542335) has the molecular formula C6H12O
and a molecular weight of 100.16 g/mol. Its IUPAC name is 5-methoxypent-2-ene.
Molecular Properties
| Compound Name | 5-methoxypent-2-ene |
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| PubChem CID | 542335 |
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| Molecular Formula | C6H12O |
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| Molecular Weight | 100.16 g/mol |
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| Exact Mass | 100.09 |
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| IUPAC Name | 5-methoxypent-2-ene |
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| SMILES | CC=CCCOC |
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| InChI | InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3 |
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| InChIKey | IYFJMSOPJUQBSR-UHFFFAOYSA-N |
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| XLogP | 1.60 |
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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 | 3 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 100.16 |
| LogP ≤ 5 | 1.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-methoxypent-2-ene?
The IUPAC name of 5-methoxypent-2-ene (CID 542335) is 5-methoxypent-2-ene.
What is the SMILES notation for 5-methoxypent-2-ene?
The canonical SMILES for 5-methoxypent-2-ene is CC=CCCOC.
What is the InChIKey of 5-methoxypent-2-ene?
The InChIKey is IYFJMSOPJUQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-methoxypent-2-ene?
5-methoxypent-2-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypent-2-ene is sourced from PubChem (CID 542335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).