About 2,5,5-trimethyl-4-methylidenehex-2-ene
2,5,5-trimethyl-4-methylidenehex-2-ene (PubChem CID 19026484) has the molecular formula C10H18
and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-methylidenehex-2-ene.
Molecular Properties
| Compound Name | 2,5,5-trimethyl-4-methylidenehex-2-ene |
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| PubChem CID | 19026484 |
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| Molecular Formula | C10H18 |
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| Molecular Weight | 138.25 g/mol |
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| Exact Mass | 138.14 |
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| IUPAC Name | 2,5,5-trimethyl-4-methylidenehex-2-ene |
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| SMILES | C=C(C=C(C)C)C(C)(C)C |
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| InChI | InChI=1S/C10H18/c1-8(2)7-9(3)10(4,5)6/h7H,3H2,1-2,4-6H3 |
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| InChIKey | LNEYROAXRFRKPH-UHFFFAOYSA-N |
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| XLogP | 3.55 |
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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 | 1 |
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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 | 138.25 |
| LogP ≤ 5 | 3.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,5,5-trimethyl-4-methylidenehex-2-ene?
The IUPAC name of 2,5,5-trimethyl-4-methylidenehex-2-ene (CID 19026484) is 2,5,5-trimethyl-4-methylidenehex-2-ene.
What is the SMILES notation for 2,5,5-trimethyl-4-methylidenehex-2-ene?
The canonical SMILES for 2,5,5-trimethyl-4-methylidenehex-2-ene is C=C(C=C(C)C)C(C)(C)C.
What is the InChIKey of 2,5,5-trimethyl-4-methylidenehex-2-ene?
The InChIKey is LNEYROAXRFRKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)7-9(3)10(4,5)6/h7H,3H2,1-2,4-6H3.
What are the key properties of 2,5,5-trimethyl-4-methylidenehex-2-ene?
2,5,5-trimethyl-4-methylidenehex-2-ene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-methylidenehex-2-ene is sourced from PubChem (CID 19026484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).