(11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane

C43H43N3OSi+2 — CID 174079994

About (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane

(11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane (PubChem CID 174079994) has the molecular formula C43H43N3OSi+2 and a molecular weight of 645.92 g/mol. Its IUPAC name is (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane.

Molecular Properties

• Compound Name: (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane
• PubChem CID: 174079994
• Molecular Formula: C43H43N3OSi+2
• Molecular Weight: 645.92 g/mol
• Exact Mass: 645.32
• IUPAC Name: (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3CC)c1ccccc1-c1cc(C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C43H43N3OSi/c1-7-44-35-17-11-12-18-36(35)46-28(3)25-38-32(30-14-8-9-15-31(30)37-24-27(2)40(26-45(37)38)48(4,5)6)22-20-29-21-23-34-33-16-10-13-19-39(33)47-42(34)41(29)43(44)46/h8-19,21,23-24,26,32,38H,3,7,20,22,25H2,1-2,4-6H3/q+2
• InChIKey: OUCJCPJNAHDZEX-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.92
LogP ≤ 5	9.47
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 (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The IUPAC name of (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane (CID 174079994) is (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane.

What is the SMILES notation for (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The canonical SMILES for (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane is C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3CC)c1ccccc1-c1cc(C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

The InChIKey is OUCJCPJNAHDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N3OSi/c1-7-44-35-17-11-12-18-36(35)46-28(3)25-38-32(30-14-8-9-15-31(30)37-24-27(2)40(26-45(37)38)48(4,5)6)22-20-29-21-23-34-33-16-10-13-19-39(33)47-42(34)41(29)43(44)46/h8-19,21,23-24,26,32,38H,3,7,20,22,25H2,1-2,4-6H3/q+2.

What are the key properties of (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane?

(11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane has a molecular weight of 645.92 g/mol, XLogP of 9.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (11-ethyl-37-methyl-3-methylidene-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl)-trimethylsilane is sourced from PubChem (CID 174079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).