[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane

C37H45N2OSi+ — CID 168732660

About [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane

[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane (PubChem CID 168732660) has the molecular formula C37H45N2OSi+ and a molecular weight of 561.87 g/mol. Its IUPAC name is [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane
• PubChem CID: 168732660
• Molecular Formula: C37H45N2OSi+
• Molecular Weight: 561.87 g/mol
• Exact Mass: 561.33
• IUPAC Name: [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane
• SMILES: Cc1c2c(c(CC(C)(C)C)c3ccc(CC(C)(C)C)cc13)Oc1cc3c([Si](C)(C)C)cccc3c3nc[n+](C)c-2c13
• InChI: InChI=1S/C37H45N2OSi/c1-22-26-17-23(19-36(2,3)4)15-16-24(26)28(20-37(5,6)7)35-31(22)34-32-29(40-35)18-27-25(33(32)38-21-39(34)8)13-12-14-30(27)41(9,10)11/h12-18,21H,19-20H2,1-11H3/q+1
• InChIKey: JJUUGZNPDXCQEV-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 26.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.87
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane?

The IUPAC name of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane (CID 168732660) is [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane.

What is the SMILES notation for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane?

The canonical SMILES for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane is Cc1c2c(c(CC(C)(C)C)c3ccc(CC(C)(C)C)cc13)Oc1cc3c([Si](C)(C)C)cccc3c3nc[n+](C)c-2c13.

What is the InChIKey of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane?

The InChIKey is JJUUGZNPDXCQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N2OSi/c1-22-26-17-23(19-36(2,3)4)15-16-24(26)28(20-37(5,6)7)35-31(22)34-32-29(40-35)18-27-25(33(32)38-21-39(34)8)13-12-14-30(27)41(9,10)11/h12-18,21H,19-20H2,1-11H3/q+1.

What are the key properties of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane?

[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane has a molecular weight of 561.87 g/mol, XLogP of 9.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-22-aza-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-16-yl]-trimethylsilane is sourced from PubChem (CID 168732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).