About ethene;2-methylprop-1-ene
ethene;2-methylprop-1-ene (PubChem CID 91362200) has the molecular formula C6H12
and a molecular weight of 84.16 g/mol. Its IUPAC name is ethene;2-methylprop-1-ene.
Molecular Properties
| Compound Name | ethene;2-methylprop-1-ene |
|---|
| PubChem CID | 91362200 |
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| Molecular Formula | C6H12 |
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| Molecular Weight | 84.16 g/mol |
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| Exact Mass | 84.09 |
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| IUPAC Name | ethene;2-methylprop-1-ene |
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| SMILES | C=C.C=C(C)C |
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| InChI | InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2 |
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| InChIKey | PSIQSMXODVNUAM-UHFFFAOYSA-N |
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| XLogP | 2.38 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.16 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethene;2-methylprop-1-ene?
The IUPAC name of ethene;2-methylprop-1-ene (CID 91362200) is ethene;2-methylprop-1-ene.
What is the SMILES notation for ethene;2-methylprop-1-ene?
The canonical SMILES for ethene;2-methylprop-1-ene is C=C.C=C(C)C.
What is the InChIKey of ethene;2-methylprop-1-ene?
The InChIKey is PSIQSMXODVNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2.
What are the key properties of ethene;2-methylprop-1-ene?
ethene;2-methylprop-1-ene has a molecular weight of 84.16 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylprop-1-ene is sourced from PubChem (CID 91362200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).