About 2-(5-methylhex-1-enylselanyl)naphthalene
2-(5-methylhex-1-enylselanyl)naphthalene (PubChem CID 135041982) has the molecular formula C17H20Se
and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(5-methylhex-1-enylselanyl)naphthalene.
Molecular Properties
| Compound Name | 2-(5-methylhex-1-enylselanyl)naphthalene |
| PubChem CID | 135041982 |
| Molecular Formula | C17H20Se |
| Molecular Weight | 303.31 g/mol |
| Exact Mass | 304.07 |
| IUPAC Name | 2-(5-methylhex-1-enylselanyl)naphthalene |
| SMILES | CC(C)CCC=C[Se]c1ccc2ccccc2c1 |
| InChI | InChI=1S/C17H20Se/c1-14(2)7-5-6-12-18-17-11-10-15-8-3-4-9-16(15)13-17/h3-4,6,8-14H,5,7H2,1-2H3 |
| InChIKey | OGXRSSIOVUEGIO-UHFFFAOYSA-N |
| XLogP | 4.12 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 303.31 |
| LogP ≤ 5 | 4.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(5-methylhex-1-enylselanyl)naphthalene?
The IUPAC name of 2-(5-methylhex-1-enylselanyl)naphthalene (CID 135041982) is 2-(5-methylhex-1-enylselanyl)naphthalene.
What is the SMILES notation for 2-(5-methylhex-1-enylselanyl)naphthalene?
The canonical SMILES for 2-(5-methylhex-1-enylselanyl)naphthalene is CC(C)CCC=C[Se]c1ccc2ccccc2c1.
What is the InChIKey of 2-(5-methylhex-1-enylselanyl)naphthalene?
The InChIKey is OGXRSSIOVUEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Se/c1-14(2)7-5-6-12-18-17-11-10-15-8-3-4-9-16(15)13-17/h3-4,6,8-14H,5,7H2,1-2H3.
What are the key properties of 2-(5-methylhex-1-enylselanyl)naphthalene?
2-(5-methylhex-1-enylselanyl)naphthalene has a molecular weight of 303.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-1-enylselanyl)naphthalene is sourced from PubChem (CID 135041982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).