(3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane

C28H25N2OSi+ — CID 166053769

About (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane

(3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane (PubChem CID 166053769) has the molecular formula C28H25N2OSi+ and a molecular weight of 433.61 g/mol. Its IUPAC name is (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane
• PubChem CID: 166053769
• Molecular Formula: C28H25N2OSi+
• Molecular Weight: 433.61 g/mol
• Exact Mass: 433.17
• IUPAC Name: (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane
• SMILES: Cc1ccc2cccc3c2c1-c1c(nc2cc([Si](C)(C)c4ccccc4)ccc2[n+]1C)O3
• InChI: InChI=1S/C28H25N2OSi/c1-18-13-14-19-9-8-12-24-26(19)25(18)27-28(31-24)29-22-17-21(15-16-23(22)30(27)2)32(3,4)20-10-6-5-7-11-20/h5-17H,1-4H3/q+1
• InChIKey: GAEDPNOFRZNJIS-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 26.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.61
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'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-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane?

The IUPAC name of (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane (CID 166053769) is (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane.

What is the SMILES notation for (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane?

The canonical SMILES for (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane is Cc1ccc2cccc3c2c1-c1c(nc2cc([Si](C)(C)c4ccccc4)ccc2[n+]1C)O3.

What is the InChIKey of (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane?

The InChIKey is GAEDPNOFRZNJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2OSi/c1-18-13-14-19-9-8-12-24-26(19)25(18)27-28(31-24)29-22-17-21(15-16-23(22)30(27)2)32(3,4)20-10-6-5-7-11-20/h5-17H,1-4H3/q+1.

What are the key properties of (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane?

(3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane has a molecular weight of 433.61 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3,20-dimethyl-12-oxa-10-aza-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaen-7-yl)-dimethyl-phenylsilane is sourced from PubChem (CID 166053769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).