trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane

C28H29N2Si+ — CID 170684959

About trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane

trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane (PubChem CID 170684959) has the molecular formula C28H29N2Si+ and a molecular weight of 421.64 g/mol. Its IUPAC name is trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane
• PubChem CID: 170684959
• Molecular Formula: C28H29N2Si+
• Molecular Weight: 421.64 g/mol
• Exact Mass: 421.21
• IUPAC Name: trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane
• SMILES: Cc1cc2cc(C)c(C)c3c2c(c1)n1c2cc([Si](C)(C)C)ccc2c2cc[n+](C)c3c21
• InChI: InChI=1S/C28H29N2Si/c1-16-12-19-14-17(2)18(3)25-26(19)24(13-16)30-23-15-20(31(5,6)7)8-9-21(23)22-10-11-29(4)28(25)27(22)30/h8-15H,1-7H3/q+1
• InChIKey: MGHXMPJPZKDAOJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.64
LogP ≤ 5	6.28
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 trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane?

The IUPAC name of trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane (CID 170684959) is trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane.

What is the SMILES notation for trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane?

The canonical SMILES for trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane is Cc1cc2cc(C)c(C)c3c2c(c1)n1c2cc([Si](C)(C)C)ccc2c2cc[n+](C)c3c21.

What is the InChIKey of trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane?

The InChIKey is MGHXMPJPZKDAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N2Si/c1-16-12-19-14-17(2)18(3)25-26(19)24(13-16)30-23-15-20(31(5,6)7)8-9-21(23)22-10-11-29(4)28(25)27(22)30/h8-15H,1-7H3/q+1.

What are the key properties of trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane?

trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane has a molecular weight of 421.64 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(11,14,15,19-tetramethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-4-yl)silane is sourced from PubChem (CID 170684959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).