[3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane

C28H32NOSi+ — CID 164722400

About [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane

[3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane (PubChem CID 164722400) has the molecular formula C28H32NOSi+ and a molecular weight of 426.66 g/mol. Its IUPAC name is [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane
• PubChem CID: 164722400
• Molecular Formula: C28H32NOSi+
• Molecular Weight: 426.66 g/mol
• Exact Mass: 426.22
• IUPAC Name: [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane
• SMILES: Cc1c2c(c([Si](C)(C)C)c3ccccc13)Oc1cc(CC(C)C)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C28H32NOSi/c1-17(2)14-19-15-20-12-13-29(4)26-24-18(3)21-10-8-9-11-22(21)28(31(5,6)7)27(24)30-23(16-19)25(20)26/h8-13,15-17H,14H2,1-7H3/q+1
• InChIKey: PKQXKWHYMSZVEL-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.66
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane?

The IUPAC name of [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane (CID 164722400) is [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane.

What is the SMILES notation for [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane?

The canonical SMILES for [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane is Cc1c2c(c([Si](C)(C)C)c3ccccc13)Oc1cc(CC(C)C)cc3cc[n+](C)c-2c13.

What is the InChIKey of [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane?

The InChIKey is PKQXKWHYMSZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32NOSi/c1-17(2)14-19-15-20-12-13-29(4)26-24-18(3)21-10-8-9-11-22(21)28(31(5,6)7)27(24)30-23(16-19)25(20)26/h8-13,15-17H,14H2,1-7H3/q+1.

What are the key properties of [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane?

[3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane has a molecular weight of 426.66 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane is sourced from PubChem (CID 164722400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).