triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane

C33H39N2Si+ — CID 166030451

About triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane

triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane (PubChem CID 166030451) has the molecular formula C33H39N2Si+ and a molecular weight of 491.78 g/mol. Its IUPAC name is triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane.

Molecular Properties

• Compound Name: triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane
• PubChem CID: 166030451
• Molecular Formula: C33H39N2Si+
• Molecular Weight: 491.78 g/mol
• Exact Mass: 491.29
• IUPAC Name: triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane
• SMILES: CC[Si](CC)(CC)c1cc2cc[n+](C)c3c4c(C)c(C)cc5c6ccc(C(C)C)cc6n(c(c1)c23)c54
• InChI: InChI=1S/C33H39N2Si/c1-9-36(10-2,11-3)25-17-24-14-15-34(8)33-30-22(7)21(6)16-27-26-13-12-23(20(4)5)18-28(26)35(32(27)30)29(19-25)31(24)33/h12-20H,9-11H2,1-8H3/q+1
• InChIKey: AMJWFWWGRYSRPC-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.78
LogP ≤ 5	8.27
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 triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane?

The IUPAC name of triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane (CID 166030451) is triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane.

What is the SMILES notation for triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane?

The canonical SMILES for triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane is CC[Si](CC)(CC)c1cc2cc[n+](C)c3c4c(C)c(C)cc5c6ccc(C(C)C)cc6n(c(c1)c23)c54.

What is the InChIKey of triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane?

The InChIKey is AMJWFWWGRYSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N2Si/c1-9-36(10-2,11-3)25-17-24-14-15-34(8)33-30-22(7)21(6)16-27-26-13-12-23(20(4)5)18-28(26)35(32(27)30)29(19-25)31(24)33/h12-20H,9-11H2,1-8H3/q+1.

What are the key properties of triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane?

triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane has a molecular weight of 491.78 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-(10,11,14-trimethyl-4-propan-2-yl-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)silane is sourced from PubChem (CID 166030451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).