trimethyl-(11,14,16-trimethyl-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

C27H27N2Si+ — CID 170684907

About trimethyl-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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 170684907) has the molecular formula C27H27N2Si+ and a molecular weight of 407.61 g/mol. Its IUPAC name is trimethyl-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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: 170684907
• Molecular Formula: C27H27N2Si+
• Molecular Weight: 407.61 g/mol
• Exact Mass: 407.19
• IUPAC Name: trimethyl-(11,14,16-trimethyl-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: Cc1cc(C)c2c3c1cccc3n1c3cc([Si](C)(C)C)ccc3c3cc[n+](C)c2c31
• InChI: InChI=1S/C27H27N2Si/c1-16-14-17(2)24-25-19(16)8-7-9-22(25)29-23-15-18(30(4,5)6)10-11-20(23)21-12-13-28(3)27(24)26(21)29/h7-15H,1-6H3/q+1
• InChIKey: BMZPCMDXINRIBJ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.61
LogP ≤ 5	5.98
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-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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 170684907) is trimethyl-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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 Cc1cc(C)c2c3c1cccc3n1c3cc([Si](C)(C)C)ccc3c3cc[n+](C)c2c31.

What is the InChIKey of trimethyl-(11,14,16-trimethyl-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 BMZPCMDXINRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2Si/c1-16-14-17(2)24-25-19(16)8-7-9-22(25)29-23-15-18(30(4,5)6)10-11-20(23)21-12-13-28(3)27(24)26(21)29/h7-15H,1-6H3/q+1.

What are the key properties of trimethyl-(11,14,16-trimethyl-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-(11,14,16-trimethyl-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 407.61 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(11,14,16-trimethyl-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 170684907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).