1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde

C88H107NO17Se6 — CID 158141824

About 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde

1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde (PubChem CID 158141824) has the molecular formula C88H107NO17Se6 and a molecular weight of 1934.57 g/mol. Its IUPAC name is 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde
• PubChem CID: 158141824
• Molecular Formula: C88H107NO17Se6
• Molecular Weight: 1934.57 g/mol
• Exact Mass: 1939.30
• IUPAC Name: 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde
• SMILES: COc1ccc(C=O)c(O)c1.COc1ccc(C=O)c2ccccc12.[1H][13C@@]([2H])(C)[Se](=O)c1ccc(OC)c2cc(CC)ccc12.[1H][13C@@]([2H])(C)[Se](=O)c1ccc(OC)cc1C.[1H][13C]([1H])(C)[Se](=O)c1ccc(OC)c2ccc(C)cc12.[1H][13C]([1H])(C)[Se](=O)c1ccc(OC)cc1N(C)C.[1H][C@@]([2H])(C)[Se](=O)c1ccccc1OC.[2H][13C]([2H])(C)[Se](=O)c1cccc(OC)c1
• InChI: InChI=1S/C15H18O2Se.C14H16O2Se.C12H10O2.C11H17NO2Se.C10H14O2Se.2C9H12O2Se.C8H8O3/c1-4-11-6-7-12-13(10-11)14(17-3)8-9-15(12)18(16)5-2;1-4-17(15)14-8-7-13(16-3)11-6-5-10(2)9-12(11)14;1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12;1-5-15(13)11-7-6-9(14-4)8-10(11)12(2)3;1-4-13(11)10-6-5-9(12-3)7-8(10)2;1-3-12(10)9-6-4-5-8(7-9)11-2;1-3-12(10)9-7-5-4-6-8(9)11-2;1-11-7-3-2-6(5-9)8(10)4-7/h6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3;2-8H,1H3;6-8H,5H2,1-4H3;5-7H,4H2,1-3H3;2*4-7H,3H2,1-2H3;2-5,10H,1H3/i5+1DH;4+1H2;;5+1H2;4+1DH;3+1D2;3DH;/t5-,18?;;;;4-,13?;;3-,12?;/m1...1.1./s1
• InChIKey: FUANFWWQJVUOEP-DEYYVWJPSA-N
• XLogP: 15.49
• TPSA: 233.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.57
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde?

The IUPAC name of 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde (CID 158141824) is 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde.

What is the SMILES notation for 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde?

The canonical SMILES for 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde is COc1ccc(C=O)c(O)c1.COc1ccc(C=O)c2ccccc12.[1H][13C@@]([2H])(C)[Se](=O)c1ccc(OC)c2cc(CC)ccc12.[1H][13C@@]([2H])(C)[Se](=O)c1ccc(OC)cc1C.[1H][13C]([1H])(C)[Se](=O)c1ccc(OC)c2ccc(C)cc12.[1H][13C]([1H])(C)[Se](=O)c1ccc(OC)cc1N(C)C.[1H][C@@]([2H])(C)[Se](=O)c1ccccc1OC.[2H][13C]([2H])(C)[Se](=O)c1cccc(OC)c1.

What is the InChIKey of 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde?

The InChIKey is FUANFWWQJVUOEP-DEYYVWJPSA-N. The full InChI is InChI=1S/C15H18O2Se.C14H16O2Se.C12H10O2.C11H17NO2Se.C10H14O2Se.2C9H12O2Se.C8H8O3/c1-4-11-6-7-12-13(10-11)14(17-3)8-9-15(12)18(16)5-2;1-4-17(15)14-8-7-13(16-3)11-6-5-10(2)9-12(11)14;1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12;1-5-15(13)11-7-6-9(14-4)8-10(11)12(2)3;1-4-13(11)10-6-5-9(12-3)7-8(10)2;1-3-12(10)9-6-4-5-8(7-9)11-2;1-3-12(10)9-7-5-4-6-8(9)11-2;1-11-7-3-2-6(5-9)8(10)4-7/h6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3;2-8H,1H3;6-8H,5H2,1-4H3;5-7H,4H2,1-3H3;2*4-7H,3H2,1-2H3;2-5,10H,1H3/i5+1DH;4+1H2;;5+1H2;4+1DH;3+1D2;3DH;/t5-,18?;;;;4-,13?;;3-,12?;/m1...1.1./s1.

What are the key properties of 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde?

1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde has a molecular weight of 1934.57 g/mol, XLogP of 15.49, 24 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-6-ethyl-4-methoxynaphthalene;1-[(1R)-1-deuterio-1-protioethyl]seleninyl-2-methoxybenzene;1-[(1R)-1-deuterio-1-protio(113C)ethyl]seleninyl-4-methoxy-2-methylbenzene;1-(1,1-dideuterio(113C)ethylseleninyl)-3-methoxybenzene;2-(1,1-diprotio(113C)ethylseleninyl)-5-methoxy-N,N-dimethylaniline;4-(1,1-diprotio(113C)ethylseleninyl)-1-methoxy-6-methylnaphthalene;2-hydroxy-4-methoxybenzaldehyde;4-methoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 158141824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).