About 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane
2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane (PubChem CID 162230633) has the molecular formula C46H98O6
and a molecular weight of 747.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane.
Molecular Properties
| Compound Name | 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane |
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| PubChem CID | 162230633 |
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| Molecular Formula | C46H98O6 |
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| Molecular Weight | 747.28 g/mol |
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| Exact Mass | 746.74 |
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| IUPAC Name | 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane |
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| SMILES | CC(C)COC(C)C.CC(C)OC(C)C.CC(C)OCC1CC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CCC(CC)COC(C)C |
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| InChI | InChI=1S/C9H18O.C9H20O.C8H16O.C7H14O.C7H16O.C6H14O/c1-8(2)10-7-9-5-3-4-6-9;1-5-9(6-2)7-10-8(3)4;1-7(2)9-6-8-4-3-5-8;1-6(2)8-5-7-3-4-7;1-6(2)5-8-7(3)4;1-5(2)7-6(3)4/h8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3 |
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| InChIKey | ZVJJLBBYZKHHDS-UHFFFAOYSA-N |
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| XLogP | 13.37 |
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| TPSA | 55.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 747.28 |
| LogP ≤ 5 | 13.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane?
The IUPAC name of 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane (CID 162230633) is 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane.
What is the SMILES notation for 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane?
The canonical SMILES for 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane is CC(C)COC(C)C.CC(C)OC(C)C.CC(C)OCC1CC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CCC(CC)COC(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane?
The InChIKey is ZVJJLBBYZKHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C9H20O.C8H16O.C7H14O.C7H16O.C6H14O/c1-8(2)10-7-9-5-3-4-6-9;1-5-9(6-2)7-10-8(3)4;1-7(2)9-6-8-4-3-5-8;1-6(2)8-5-7-3-4-7;1-6(2)5-8-7(3)4;1-5(2)7-6(3)4/h8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3.
What are the key properties of 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane?
2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane has a molecular weight of 747.28 g/mol, XLogP of 13.37, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pentane;2-propan-2-yloxypropane is sourced from PubChem (CID 162230633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).