About 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)
1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) (PubChem CID 161386870) has the molecular formula C53H112
and a molecular weight of 749.48 g/mol. Its IUPAC name is 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane).
Molecular Properties
| Compound Name | 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) |
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| PubChem CID | 161386870 |
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| Molecular Formula | C53H112 |
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| Molecular Weight | 749.48 g/mol |
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| Exact Mass | 748.88 |
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| IUPAC Name | 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) |
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| SMILES | C.CC.CC.CC1(C)CCCC1.CCC1(C)CCC1.CCC1(C)CCCC1.CCC1(C)CCCC1.CCCC1(C)CCCC1.CCCC1(C)CCCC1 |
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| InChI | InChI=1S/2C9H18.2C8H16.2C7H14.2C2H6.CH4/c2*1-3-6-9(2)7-4-5-8-9;2*1-3-8(2)6-4-5-7-8;1-7(2)5-3-4-6-7;1-3-7(2)5-4-6-7;2*1-2;/h2*3-8H2,1-2H3;2*3-7H2,1-2H3;2*3-6H2,1-2H3;2*1-2H3;1H4 |
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| InChIKey | VSLVDRGKNUFBJA-UHFFFAOYSA-N |
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| XLogP | 20.55 |
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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 | 7 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 749.48 |
| LogP ≤ 5 | 20.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)?
The IUPAC name of 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) (CID 161386870) is 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane).
What is the SMILES notation for 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)?
The canonical SMILES for 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) is C.CC.CC.CC1(C)CCCC1.CCC1(C)CCC1.CCC1(C)CCCC1.CCC1(C)CCCC1.CCCC1(C)CCCC1.CCCC1(C)CCCC1.
What is the InChIKey of 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)?
The InChIKey is VSLVDRGKNUFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.2C8H16.2C7H14.2C2H6.CH4/c2*1-3-6-9(2)7-4-5-8-9;2*1-3-8(2)6-4-5-7-8;1-7(2)5-3-4-6-7;1-3-7(2)5-4-6-7;2*1-2;/h2*3-8H2,1-2H3;2*3-7H2,1-2H3;2*3-6H2,1-2H3;2*1-2H3;1H4.
What are the key properties of 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)?
1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) has a molecular weight of 749.48 g/mol, XLogP of 20.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane) is sourced from PubChem (CID 161386870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).