[15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane

C30H33N2OSi+ — CID 164723474

About [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane

[15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane (PubChem CID 164723474) has the molecular formula C30H33N2OSi+ and a molecular weight of 465.69 g/mol. Its IUPAC name is [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane
• PubChem CID: 164723474
• Molecular Formula: C30H33N2OSi+
• Molecular Weight: 465.69 g/mol
• Exact Mass: 465.24
• IUPAC Name: [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane
• SMILES: [C-]#[N+]C(C)(C)Cc1cc2c3c([n+](C)ccc3c1)-c1c(c(C)c3cc([Si](C)(C)C)ccc3c1C)O2
• InChI: InChI=1S/C30H33N2OSi/c1-18-23-11-10-22(34(7,8)9)16-24(23)19(2)29-26(18)28-27-21(12-13-32(28)6)14-20(15-25(27)33-29)17-30(3,4)31-5/h10-16H,17H2,1-4,6-9H3/q+1
• InChIKey: GFOFQHZXZWJXEC-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 17.47 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.69
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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 [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane?

The IUPAC name of [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane (CID 164723474) is [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane.

What is the SMILES notation for [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane?

The canonical SMILES for [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane is [C-]#[N+]C(C)(C)Cc1cc2c3c([n+](C)ccc3c1)-c1c(c(C)c3cc([Si](C)(C)C)ccc3c1C)O2.

What is the InChIKey of [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane?

The InChIKey is GFOFQHZXZWJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N2OSi/c1-18-23-11-10-22(34(7,8)9)16-24(23)19(2)29-26(18)28-27-21(12-13-32(28)6)14-20(15-25(27)33-29)17-30(3,4)31-5/h10-16H,17H2,1-4,6-9H3/q+1.

What are the key properties of [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane?

[15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane has a molecular weight of 465.69 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [15-(2-isocyano-2-methylpropyl)-3,10,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]-trimethylsilane is sourced from PubChem (CID 164723474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).