trimethyl-[3,8,20-trimethyl-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]silane

C29H34NOSi+ — CID 164723009

About trimethyl-[3,8,20-trimethyl-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]silane

trimethyl-[3,8,20-trimethyl-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]silane (PubChem CID 164723009) has the molecular formula C29H34NOSi+ and a molecular weight of 440.68 g/mol. Its IUPAC name is trimethyl-[3,8,20-trimethyl-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]silane.

Molecular Properties

• Compound Name: trimethyl-[3,8,20-trimethyl-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]silane
• PubChem CID: 164723009
• Molecular Formula: C29H34NOSi+
• Molecular Weight: 440.68 g/mol
• Exact Mass: 440.24
• IUPAC Name: trimethyl-[3,8,20-trimethyl-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]silane
• SMILES: Cc1c2c(c([Si](C)(C)C)c3c(C)cccc13)Oc1cc(CC(C)C)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C29H34NOSi/c1-17(2)14-20-15-21-12-13-30(5)27-25-19(4)22-11-9-10-18(3)24(22)29(32(6,7)8)28(25)31-23(16-20)26(21)27/h9-13,15-17H,14H2,1-8H3/q+1
• InChIKey: PMWSDWFFFDZPTQ-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.68
LogP ≤ 5	6.95
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 trimethyl-[3,8,20-trimethyl-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]silane?

The IUPAC name of trimethyl-[3,8,20-trimethyl-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]silane (CID 164723009) is trimethyl-[3,8,20-trimethyl-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]silane.

What is the SMILES notation for trimethyl-[3,8,20-trimethyl-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]silane?

The canonical SMILES for trimethyl-[3,8,20-trimethyl-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]silane is Cc1c2c(c([Si](C)(C)C)c3c(C)cccc13)Oc1cc(CC(C)C)cc3cc[n+](C)c-2c13.

What is the InChIKey of trimethyl-[3,8,20-trimethyl-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]silane?

The InChIKey is PMWSDWFFFDZPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34NOSi/c1-17(2)14-20-15-21-12-13-30(5)27-25-19(4)22-11-9-10-18(3)24(22)29(32(6,7)8)28(25)31-23(16-20)26(21)27/h9-13,15-17H,14H2,1-8H3/q+1.

What are the key properties of trimethyl-[3,8,20-trimethyl-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]silane?

trimethyl-[3,8,20-trimethyl-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]silane has a molecular weight of 440.68 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3,8,20-trimethyl-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]silane is sourced from PubChem (CID 164723009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).