[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane

C36H51NO5Si — CID 138963558

About [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane

[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane (PubChem CID 138963558) has the molecular formula C36H51NO5Si and a molecular weight of 605.89 g/mol. Its IUPAC name is [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane
• PubChem CID: 138963558
• Molecular Formula: C36H51NO5Si
• Molecular Weight: 605.89 g/mol
• Exact Mass: 605.35
• IUPAC Name: [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane
• SMILES: COc1cc2c(cc1OC)[C@@H](Cc1cc(OCc3ccccc3)c(OC)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)N(C)CC2
• InChI: InChI=1S/C36H51NO5Si/c1-24(2)43(25(3)4,26(5)6)42-35-20-28(19-34(36(35)40-10)41-23-27-14-12-11-13-15-27)18-31-30-22-33(39-9)32(38-8)21-29(30)16-17-37(31)7/h11-15,19-22,24-26,31H,16-18,23H2,1-10H3/t31-/m1/s1
• InChIKey: LXHDOMKPBKDFIP-WJOKGBTCSA-N
• XLogP: 8.62
• TPSA: 49.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.89
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane?

The IUPAC name of [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane (CID 138963558) is [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane is COc1cc2c(cc1OC)[C@@H](Cc1cc(OCc3ccccc3)c(OC)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)N(C)CC2.

What is the InChIKey of [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane?

The InChIKey is LXHDOMKPBKDFIP-WJOKGBTCSA-N. The full InChI is InChI=1S/C36H51NO5Si/c1-24(2)43(25(3)4,26(5)6)42-35-20-28(19-34(36(35)40-10)41-23-27-14-12-11-13-15-27)18-31-30-22-33(39-9)32(38-8)21-29(30)16-17-37(31)7/h11-15,19-22,24-26,31H,16-18,23H2,1-10H3/t31-/m1/s1.

What are the key properties of [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane?

[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane has a molecular weight of 605.89 g/mol, XLogP of 8.62, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-3-phenylmethoxyphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 138963558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).