2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine

C56H84N2O5S4Si2 — CID 11343711

About 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine

2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine (PubChem CID 11343711) has the molecular formula C56H84N2O5S4Si2 and a molecular weight of 1049.74 g/mol. Its IUPAC name is 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine.

Molecular Properties

• Compound Name: 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine
• PubChem CID: 11343711
• Molecular Formula: C56H84N2O5S4Si2
• Molecular Weight: 1049.74 g/mol
• Exact Mass: 1048.48
• IUPAC Name: 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine
• SMILES: CC(C)[Si]1(C(C)C)Oc2c3cc(C(C)(C)C)cc2Sc2cc(C(C)(C)C)cc(c2O[Si](C(C)C)(C(C)C)O1)Sc1cc(C(C)(C)C)cc(c1OCCN)Sc1cc(C(C)(C)C)cc(c1OCCN)S3
• InChI: InChI=1S/C56H84N2O5S4Si2/c1-33(2)68(34(3)4)61-51-45-29-39(55(15,16)17)31-47(51)67-48-32-40(56(18,19)20)30-46(52(48)62-69(63-68,35(5)6)36(7)8)66-44-28-38(54(12,13)14)26-42(50(44)60-24-22-58)64-41-25-37(53(9,10)11)27-43(65-45)49(41)59-23-21-57/h25-36H,21-24,57-58H2,1-20H3
• InChIKey: ZMUGJVIAWUOSDI-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 98.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1049.74
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine?

The IUPAC name of 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine (CID 11343711) is 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine.

What is the SMILES notation for 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine?

The canonical SMILES for 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine is CC(C)[Si]1(C(C)C)Oc2c3cc(C(C)(C)C)cc2Sc2cc(C(C)(C)C)cc(c2O[Si](C(C)C)(C(C)C)O1)Sc1cc(C(C)(C)C)cc(c1OCCN)Sc1cc(C(C)(C)C)cc(c1OCCN)S3.

What is the InChIKey of 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine?

The InChIKey is ZMUGJVIAWUOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N2O5S4Si2/c1-33(2)68(34(3)4)61-51-45-29-39(55(15,16)17)31-47(51)67-48-32-40(56(18,19)20)30-46(52(48)62-69(63-68,35(5)6)36(7)8)66-44-28-38(54(12,13)14)26-42(50(44)60-24-22-58)64-41-25-37(53(9,10)11)27-43(65-45)49(41)59-23-21-57/h25-36H,21-24,57-58H2,1-20H3.

What are the key properties of 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine?

2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine has a molecular weight of 1049.74 g/mol, XLogP of 16.78, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[33-(2-aminoethoxy)-3,9,15,21-tetratert-butyl-26,26,28,28-tetra(propan-2-yl)-25,27,29-trioxa-6,12,18,31-tetrathia-26,28-disilahexacyclo[21.7.1.17,11.113,17.05,30.019,24]tritriaconta-1(30),2,4,7(33),8,10,13,15,17(32),19,21,23-dodecaen-32-yl]oxy]ethanamine is sourced from PubChem (CID 11343711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).