About 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane
1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (PubChem CID 69079213) has the molecular formula C52H82O3
and a molecular weight of 755.22 g/mol. Its IUPAC name is 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
Molecular Properties
| Compound Name | 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| PubChem CID | 69079213 |
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| Molecular Formula | C52H82O3 |
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| Molecular Weight | 755.22 g/mol |
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| Exact Mass | 754.63 |
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| IUPAC Name | 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| SMILES | CCCCCCC1(C2(C3(C4(C5(C6(OCCOCCOC7(C8(C9(C%10(C%11(C%12(CCCCCC)CC%12)CC%11)CC%10)CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1 |
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| InChI | InChI=1S/C52H82O3/c1-3-5-7-9-11-41(13-14-41)43(17-18-43)45(21-22-45)47(25-26-47)49(29-30-49)51(33-34-51)54-39-37-53-38-40-55-52(35-36-52)50(31-32-50)48(27-28-48)46(23-24-46)44(19-20-44)42(15-16-42)12-10-8-6-4-2/h3-40H2,1-2H3 |
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| InChIKey | IPNNQARQRNERPH-UHFFFAOYSA-N |
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| XLogP | 13.84 |
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| TPSA | 27.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 755.22 |
| LogP ≤ 5 | 13.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
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Frequently Asked Questions
What is the IUPAC name of 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The IUPAC name of 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (CID 69079213) is 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
What is the SMILES notation for 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The canonical SMILES for 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is CCCCCCC1(C2(C3(C4(C5(C6(OCCOCCOC7(C8(C9(C%10(C%11(C%12(CCCCCC)CC%12)CC%11)CC%10)CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The InChIKey is IPNNQARQRNERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H82O3/c1-3-5-7-9-11-41(13-14-41)43(17-18-43)45(21-22-45)47(25-26-47)49(29-30-49)51(33-34-51)54-39-37-53-38-40-55-52(35-36-52)50(31-32-50)48(27-28-48)46(23-24-46)44(19-20-44)42(15-16-42)12-10-8-6-4-2/h3-40H2,1-2H3.
What are the key properties of 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane has a molecular weight of 755.22 g/mol, XLogP of 13.84, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-[1-[1-[1-[1-[1-[2-[2-[1-[1-[1-[1-[1-(1-hexylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxyethoxy]ethoxy]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is sourced from PubChem (CID 69079213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).