About methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane
methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane (PubChem CID 157213250) has the molecular formula C42H98O4
and a molecular weight of 667.24 g/mol. Its IUPAC name is methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane.
Molecular Properties
| Compound Name | methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane |
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| PubChem CID | 157213250 |
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| Molecular Formula | C42H98O4 |
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| Molecular Weight | 667.24 g/mol |
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| Exact Mass | 666.75 |
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| IUPAC Name | methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane |
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| SMILES | C.CCCC(C)C.CCCCC(C)C.CCCCCOC(C)C.CCCCOC(C)C.CCCOC(C)C.CCCOCC(C)C |
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| InChI | InChI=1S/C8H18O.2C7H16O.C7H16.C6H14O.C6H14.CH4/c1-4-5-6-7-9-8(2)3;1-4-5-8-6-7(2)3;1-4-5-6-8-7(2)3;1-4-5-6-7(2)3;1-4-5-7-6(2)3;1-4-5-6(2)3;/h8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;1H4 |
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| InChIKey | ASCZODONTSEZOW-UHFFFAOYSA-N |
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| XLogP | 14.61 |
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| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 667.24 |
| LogP ≤ 5 | 14.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane?
The IUPAC name of methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane (CID 157213250) is methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane.
What is the SMILES notation for methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane?
The canonical SMILES for methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane is C.CCCC(C)C.CCCCC(C)C.CCCCCOC(C)C.CCCCOC(C)C.CCCOC(C)C.CCCOCC(C)C.
What is the InChIKey of methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane?
The InChIKey is ASCZODONTSEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2C7H16O.C7H16.C6H14O.C6H14.CH4/c1-4-5-6-7-9-8(2)3;1-4-5-8-6-7(2)3;1-4-5-6-8-7(2)3;1-4-5-6-7(2)3;1-4-5-7-6(2)3;1-4-5-6(2)3;/h8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;1H4.
What are the key properties of methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane?
methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane has a molecular weight of 667.24 g/mol, XLogP of 14.61, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylhexane;2-methylpentane;2-methyl-1-propoxypropane;1-propan-2-yloxybutane;1-propan-2-yloxypentane;1-propan-2-yloxypropane is sourced from PubChem (CID 157213250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).