[6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane

C36H39N2Si+ — CID 166030354

About [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane

[6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane (PubChem CID 166030354) has the molecular formula C36H39N2Si+ and a molecular weight of 527.81 g/mol. Its IUPAC name is [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane
• PubChem CID: 166030354
• Molecular Formula: C36H39N2Si+
• Molecular Weight: 527.81 g/mol
• Exact Mass: 527.29
• IUPAC Name: [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane
• SMILES: Cc1cc2c3cc(CC(C)(C)C)ccc3n3c4cc5c([Si](C)(C)C)cccc5c5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C36H39N2Si/c1-21-17-28-26-18-23(20-36(3,4)5)13-14-29(26)38-30-19-27-24(11-10-12-31(27)39(7,8)9)25-15-16-37(6)35(33(25)30)32(22(21)2)34(28)38/h10-19H,20H2,1-9H3/q+1
• InChIKey: RNNLNGCGPALESR-UHFFFAOYSA-N
• XLogP: 8.72
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.81
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane?

The IUPAC name of [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane (CID 166030354) is [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane.

What is the SMILES notation for [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane?

The canonical SMILES for [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane is Cc1cc2c3cc(CC(C)(C)C)ccc3n3c4cc5c([Si](C)(C)C)cccc5c5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane?

The InChIKey is RNNLNGCGPALESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N2Si/c1-21-17-28-26-18-23(20-36(3,4)5)13-14-29(26)38-30-19-27-24(11-10-12-31(27)39(7,8)9)25-15-16-37(6)35(33(25)30)32(22(21)2)34(28)38/h10-19H,20H2,1-9H3/q+1.

What are the key properties of [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane?

[6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane has a molecular weight of 527.81 g/mol, XLogP of 8.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane is sourced from PubChem (CID 166030354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).