About 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane
1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (PubChem CID 57194180) has the molecular formula C56H82O
and a molecular weight of 771.27 g/mol. Its IUPAC name is 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
Molecular Properties
| Compound Name | 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| PubChem CID | 57194180 |
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| Molecular Formula | C56H82O |
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| Molecular Weight | 771.27 g/mol |
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| Exact Mass | 770.64 |
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| IUPAC Name | 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| SMILES | CCCCC1(C2(C3(C4(C5(C6(C7(C8(OC9(C%10(C%11(C%12(C%13(C%14(C%15(C%16(CCCC)CC%16)CC%15)CC%14)CC%13)CC%12)CC%11)CC%10)CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1 |
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| InChI | InChI=1S/C56H82O/c1-3-5-7-41(9-10-41)43(13-14-43)45(17-18-45)47(21-22-47)49(25-26-49)51(29-30-51)53(33-34-53)55(37-38-55)57-56(39-40-56)54(35-36-54)52(31-32-52)50(27-28-50)48(23-24-48)46(19-20-46)44(15-16-44)42(11-12-42)8-6-4-2/h3-40H2,1-2H3 |
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| InChIKey | DJKKGWYZSKZWII-UHFFFAOYSA-N |
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| XLogP | 15.37 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 771.27 |
| LogP ≤ 5 | 15.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Analyze 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The IUPAC name of 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (CID 57194180) is 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
What is the SMILES notation for 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The canonical SMILES for 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is CCCCC1(C2(C3(C4(C5(C6(C7(C8(OC9(C%10(C%11(C%12(C%13(C%14(C%15(C%16(CCCC)CC%16)CC%15)CC%14)CC%13)CC%12)CC%11)CC%10)CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The InChIKey is DJKKGWYZSKZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H82O/c1-3-5-7-41(9-10-41)43(13-14-43)45(17-18-45)47(21-22-47)49(25-26-49)51(29-30-51)53(33-34-53)55(37-38-55)57-56(39-40-56)54(35-36-54)52(31-32-52)50(27-28-50)48(23-24-48)46(19-20-46)44(15-16-44)42(11-12-42)8-6-4-2/h3-40H2,1-2H3.
What are the key properties of 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane has a molecular weight of 771.27 g/mol, XLogP of 15.37, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-butylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is sourced from PubChem (CID 57194180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).