(3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane

C22H22NO2Si+ — CID 164722859

About (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane

(3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane (PubChem CID 164722859) has the molecular formula C22H22NO2Si+ and a molecular weight of 360.51 g/mol. Its IUPAC name is (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane
• PubChem CID: 164722859
• Molecular Formula: C22H22NO2Si+
• Molecular Weight: 360.51 g/mol
• Exact Mass: 360.14
• IUPAC Name: (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane
• SMILES: Cc1c2c(cc3ccoc13)Oc1cc([Si](C)(C)C)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C22H22NO2Si/c1-13-19-17(11-15-7-9-24-22(13)15)25-18-12-16(26(3,4)5)10-14-6-8-23(2)21(19)20(14)18/h6-12H,1-5H3/q+1
• InChIKey: VCLZMWHAOBZPDY-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 26.25 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.51
LogP ≤ 5	5.04
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 (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane?

The IUPAC name of (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane (CID 164722859) is (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane.

What is the SMILES notation for (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane?

The canonical SMILES for (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane is Cc1c2c(cc3ccoc13)Oc1cc([Si](C)(C)C)cc3cc[n+](C)c-2c13.

What is the InChIKey of (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane?

The InChIKey is VCLZMWHAOBZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2Si/c1-13-19-17(11-15-7-9-24-22(13)15)25-18-12-16(26(3,4)5)10-14-6-8-23(2)21(19)20(14)18/h6-12H,1-5H3/q+1.

What are the key properties of (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane?

(3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane has a molecular weight of 360.51 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane is sourced from PubChem (CID 164722859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).