About 2-(iodomethyl)-4,4-dimethylhex-1-ene
2-(iodomethyl)-4,4-dimethylhex-1-ene (PubChem CID 89174271) has the molecular formula C9H17I
and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-(iodomethyl)-4,4-dimethylhex-1-ene.
Molecular Properties
| Compound Name | 2-(iodomethyl)-4,4-dimethylhex-1-ene |
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| PubChem CID | 89174271 |
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| Molecular Formula | C9H17I |
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| Molecular Weight | 252.14 g/mol |
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| Exact Mass | 252.04 |
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| IUPAC Name | 2-(iodomethyl)-4,4-dimethylhex-1-ene |
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| SMILES | C=C(CI)CC(C)(C)CC |
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| InChI | InChI=1S/C9H17I/c1-5-9(3,4)6-8(2)7-10/h2,5-7H2,1,3-4H3 |
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| InChIKey | LISFQYJWOYWSED-UHFFFAOYSA-N |
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| XLogP | 3.80 |
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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 | 4 |
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| Heavy Atoms | 10 |
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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 | 252.14 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(iodomethyl)-4,4-dimethylhex-1-ene?
The IUPAC name of 2-(iodomethyl)-4,4-dimethylhex-1-ene (CID 89174271) is 2-(iodomethyl)-4,4-dimethylhex-1-ene.
What is the SMILES notation for 2-(iodomethyl)-4,4-dimethylhex-1-ene?
The canonical SMILES for 2-(iodomethyl)-4,4-dimethylhex-1-ene is C=C(CI)CC(C)(C)CC.
What is the InChIKey of 2-(iodomethyl)-4,4-dimethylhex-1-ene?
The InChIKey is LISFQYJWOYWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17I/c1-5-9(3,4)6-8(2)7-10/h2,5-7H2,1,3-4H3.
What are the key properties of 2-(iodomethyl)-4,4-dimethylhex-1-ene?
2-(iodomethyl)-4,4-dimethylhex-1-ene has a molecular weight of 252.14 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4,4-dimethylhex-1-ene is sourced from PubChem (CID 89174271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).