About 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane
1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (PubChem CID 123644106) has the molecular formula C64H98O
and a molecular weight of 883.49 g/mol. Its IUPAC name is 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
Molecular Properties
| Compound Name | 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| PubChem CID | 123644106 |
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| Molecular Formula | C64H98O |
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| Molecular Weight | 883.49 g/mol |
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| Exact Mass | 882.76 |
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| IUPAC Name | 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane |
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| SMILES | CCCCCCCCC1(C2(C3(C4(C5(C6(C7(C8(OC9(C%10(C%11(C%12(C%13(C%14(C%15(C%16(CCCCCCCC)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/C64H98O/c1-3-5-7-9-11-13-15-49(17-18-49)51(21-22-51)53(25-26-53)55(29-30-55)57(33-34-57)59(37-38-59)61(41-42-61)63(45-46-63)65-64(47-48-64)62(43-44-62)60(39-40-60)58(35-36-58)56(31-32-56)54(27-28-54)52(23-24-52)50(19-20-50)16-14-12-10-8-6-4-2/h3-48H2,1-2H3 |
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| InChIKey | CHRSDONFUTUTFU-UHFFFAOYSA-N |
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| XLogP | 18.49 |
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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 | 30 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 883.49 |
| LogP ≤ 5 | 18.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)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-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The IUPAC name of 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane (CID 123644106) is 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane.
What is the SMILES notation for 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The canonical SMILES for 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is CCCCCCCCC1(C2(C3(C4(C5(C6(C7(C8(OC9(C%10(C%11(C%12(C%13(C%14(C%15(C%16(CCCCCCCC)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-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
The InChIKey is CHRSDONFUTUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H98O/c1-3-5-7-9-11-13-15-49(17-18-49)51(21-22-51)53(25-26-53)55(29-30-55)57(33-34-57)59(37-38-59)61(41-42-61)63(45-46-63)65-64(47-48-64)62(43-44-62)60(39-40-60)58(35-36-58)56(31-32-56)54(27-28-54)52(23-24-52)50(19-20-50)16-14-12-10-8-6-4-2/h3-48H2,1-2H3.
What are the key properties of 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane?
1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane has a molecular weight of 883.49 g/mol, XLogP of 18.49, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-octylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]oxycyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropane is sourced from PubChem (CID 123644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).