[4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane

C31H35N2Si+ — CID 170684512

About [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane

[4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane (PubChem CID 170684512) has the molecular formula C31H35N2Si+ and a molecular weight of 463.72 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
• PubChem CID: 170684512
• Molecular Formula: C31H35N2Si+
• Molecular Weight: 463.72 g/mol
• Exact Mass: 463.26
• IUPAC Name: [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane
• SMILES: Cc1ccc2c3ccc(CC(C)(C)C)cc3n3c4cc([Si](C)(C)C)cc5cc[n+](C)c(c1c23)c54
• InChI: InChI=1S/C31H35N2Si/c1-19-9-11-24-23-12-10-20(18-31(2,3)4)15-25(23)33-26-17-22(34(6,7)8)16-21-13-14-32(5)30(28(21)26)27(19)29(24)33/h9-17H,18H2,1-8H3/q+1
• InChIKey: WZKAXUSZBOYWQX-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.72
LogP ≤ 5	7.26
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 [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?

The IUPAC name of [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane (CID 170684512) is [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane.

What is the SMILES notation for [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?

The canonical SMILES for [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane is Cc1ccc2c3ccc(CC(C)(C)C)cc3n3c4cc([Si](C)(C)C)cc5cc[n+](C)c(c1c23)c54.

What is the InChIKey of [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?

The InChIKey is WZKAXUSZBOYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N2Si/c1-19-9-11-24-23-12-10-20(18-31(2,3)4)15-25(23)33-26-17-22(34(6,7)8)16-21-13-14-32(5)30(28(21)26)27(19)29(24)33/h9-17H,18H2,1-8H3/q+1.

What are the key properties of [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane?

[4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane has a molecular weight of 463.72 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-dimethylpropyl)-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaen-19-yl]-trimethylsilane is sourced from PubChem (CID 170684512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).