About bis(prop-2-enyl) carbonate;ethene
bis(prop-2-enyl) carbonate;ethene (PubChem CID 87465968) has the molecular formula C11H18O3
and a molecular weight of 198.26 g/mol. Its IUPAC name is bis(prop-2-enyl) carbonate;ethene.
Molecular Properties
| Compound Name | bis(prop-2-enyl) carbonate;ethene |
| PubChem CID | 87465968 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.26 g/mol |
| Exact Mass | 198.13 |
| IUPAC Name | bis(prop-2-enyl) carbonate;ethene |
| SMILES | C=C.C=C.C=CCOC(=O)OCC=C |
| InChI | InChI=1S/C7H10O3.2C2H4/c1-3-5-9-7(8)10-6-4-2;2*1-2/h3-4H,1-2,5-6H2;2*1-2H2 |
| InChIKey | VGYLQXAUFUIVPP-UHFFFAOYSA-N |
| XLogP | 3.12 |
| TPSA | 35.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 198.26 |
| LogP ≤ 5 | 3.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 bis(prop-2-enyl) carbonate;ethene?
The IUPAC name of bis(prop-2-enyl) carbonate;ethene (CID 87465968) is bis(prop-2-enyl) carbonate;ethene.
What is the SMILES notation for bis(prop-2-enyl) carbonate;ethene?
The canonical SMILES for bis(prop-2-enyl) carbonate;ethene is C=C.C=C.C=CCOC(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) carbonate;ethene?
The InChIKey is VGYLQXAUFUIVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.2C2H4/c1-3-5-9-7(8)10-6-4-2;2*1-2/h3-4H,1-2,5-6H2;2*1-2H2.
What are the key properties of bis(prop-2-enyl) carbonate;ethene?
bis(prop-2-enyl) carbonate;ethene has a molecular weight of 198.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) carbonate;ethene is sourced from PubChem (CID 87465968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).