1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane

C66H74 — CID 102244448

About 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane

1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane (PubChem CID 102244448) has the molecular formula C66H74 and a molecular weight of 867.32 g/mol. Its IUPAC name is 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane.

Molecular Properties

• Compound Name: 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane
• PubChem CID: 102244448
• Molecular Formula: C66H74
• Molecular Weight: 867.32 g/mol
• Exact Mass: 866.58
• IUPAC Name: 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane
• SMILES: C#CC1(C#CC#CC2(C#CC#CC3(C#CC#CC4(C#CC#CC5(C#CC#CC6(C#C)C(C)(C)C6(C)C)C(C)(C)C5(C)C)C(C)(C)C4(C)C)C(C)(C)C3(C)C)C(C)(C)C2(C)C)C(C)(C)C1(C)C
• InChI: InChI=1S/C66H74/c1-27-61(49(3,4)50(61,5)6)39-29-31-41-63(53(11,12)54(63,13)14)43-33-35-45-65(57(19,20)58(65,21)22)47-37-38-48-66(59(23,24)60(66,25)26)46-36-34-44-64(55(15,16)56(64,17)18)42-32-30-40-62(28-2)51(7,8)52(62,9)10/h1-2H,3-26H3
• InChIKey: LXDMVDCRHWTVBB-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 0.00 Ų
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.32
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane?

The IUPAC name of 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane (CID 102244448) is 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane.

What is the SMILES notation for 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane?

The canonical SMILES for 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane is C#CC1(C#CC#CC2(C#CC#CC3(C#CC#CC4(C#CC#CC5(C#CC#CC6(C#C)C(C)(C)C6(C)C)C(C)(C)C5(C)C)C(C)(C)C4(C)C)C(C)(C)C3(C)C)C(C)(C)C2(C)C)C(C)(C)C1(C)C.

What is the InChIKey of 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane?

The InChIKey is LXDMVDCRHWTVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H74/c1-27-61(49(3,4)50(61,5)6)39-29-31-41-63(53(11,12)54(63,13)14)43-33-35-45-65(57(19,20)58(65,21)22)47-37-38-48-66(59(23,24)60(66,25)26)46-36-34-44-64(55(15,16)56(64,17)18)42-32-30-40-62(28-2)51(7,8)52(62,9)10/h1-2H,3-26H3.

What are the key properties of 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane?

1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane has a molecular weight of 867.32 g/mol, XLogP of 12.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynyl-1-[4-[1-[4-[1-[4-[1-[4-[1-[4-(1-ethynyl-2,2,3,3-tetramethylcyclopropyl)buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropyl]buta-1,3-diynyl]-2,2,3,3-tetramethylcyclopropane is sourced from PubChem (CID 102244448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).