[(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane

C26H45NOSi — CID 158390149

About [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane

[(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane (PubChem CID 158390149) has the molecular formula C26H45NOSi and a molecular weight of 415.74 g/mol. Its IUPAC name is [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 158390149
• Molecular Formula: C26H45NOSi
• Molecular Weight: 415.74 g/mol
• Exact Mass: 415.33
• IUPAC Name: [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane
• SMILES: CCCN1CCC[C@@H]2Cc3c(ccc(C)c3O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]21
• InChI: InChI=1S/C26H45NOSi/c1-9-14-27-15-10-11-23-16-24-22(17-25(23)27)13-12-21(8)26(24)28-29(18(2)3,19(4)5)20(6)7/h12-13,18-20,23,25H,9-11,14-17H2,1-8H3/t23-,25-/m1/s1
• InChIKey: TWYWHPCHWBBIEX-ILBGXUMGSA-N
• XLogP: 7.14
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.74
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane (CID 158390149) is [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane is CCCN1CCC[C@@H]2Cc3c(ccc(C)c3O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]21.

What is the InChIKey of [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is TWYWHPCHWBBIEX-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H45NOSi/c1-9-14-27-15-10-11-23-16-24-22(17-25(23)27)13-12-21(8)26(24)28-29(18(2)3,19(4)5)20(6)7/h12-13,18-20,23,25H,9-11,14-17H2,1-8H3/t23-,25-/m1/s1.

What are the key properties of [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane?

[(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 415.74 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 158390149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).