trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane

C24H25N2OSi+ — CID 164721994

About trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane

trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane (PubChem CID 164721994) has the molecular formula C24H25N2OSi+ and a molecular weight of 385.56 g/mol. Its IUPAC name is trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane
• PubChem CID: 164721994
• Molecular Formula: C24H25N2OSi+
• Molecular Weight: 385.56 g/mol
• Exact Mass: 385.17
• IUPAC Name: trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane
• SMILES: Cc1cccc2cc3c(c(C)c12)-c1c2c(cc([Si](C)(C)C)cc2nc[n+]1C)O3
• InChI: InChI=1S/C24H25N2OSi/c1-14-8-7-9-16-10-19-22(15(2)21(14)16)24-23-18(25-13-26(24)3)11-17(28(4,5)6)12-20(23)27-19/h7-13H,1-6H3/q+1
• InChIKey: DSHIWVIBRWWFHX-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 26.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.56
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane?

The IUPAC name of trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane (CID 164721994) is trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane.

What is the SMILES notation for trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane?

The canonical SMILES for trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane is Cc1cccc2cc3c(c(C)c12)-c1c2c(cc([Si](C)(C)C)cc2nc[n+]1C)O3.

What is the InChIKey of trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane?

The InChIKey is DSHIWVIBRWWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2OSi/c1-14-8-7-9-16-10-19-22(15(2)21(14)16)24-23-18(25-13-26(24)3)11-17(28(4,5)6)12-20(23)27-19/h7-13H,1-6H3/q+1.

What are the key properties of trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane?

trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane has a molecular weight of 385.56 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(3,5,20-trimethyl-12-oxa-18-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-15-yl)silane is sourced from PubChem (CID 164721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).