(2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal

C53H100O8Si3 — CID 71726349

About (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal

(2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal (PubChem CID 71726349) has the molecular formula C53H100O8Si3 and a molecular weight of 949.63 g/mol. Its IUPAC name is (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal.

Molecular Properties

• Compound Name: (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal
• PubChem CID: 71726349
• Molecular Formula: C53H100O8Si3
• Molecular Weight: 949.63 g/mol
• Exact Mass: 948.67
• IUPAC Name: (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal
• SMILES: CC[Si](CC)(CC)O[C@H]([C@H](C)[C@@H]1C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@H](O[Si](CC)(CC)CC)C/C=C/C=C/C(=O)O1)[C@@H](C)C=O
• InChI: InChI=1S/C53H100O8Si3/c1-18-62(19-2,20-3)59-50-32-28-27-29-34-51(55)58-49(45(14)53(44(13)40-54)61-64(24-7,25-8)26-9)33-30-31-47(56-16)39-41(10)35-36-42(11)48(57-17)38-37-43(12)52(46(50)15)60-63(21-4,22-5)23-6/h27-31,34,36,40-41,43-50,52-53H,18-26,32-33,35,37-39H2,1-17H3/b28-27+,31-30+,34-29+,42-36+/t41-,43-,44+,45-,46-,47+,48+,49+,50-,52-,53+/m1/s1
• InChIKey: FQLHAQLMTVFIAB-YEZNXEADSA-N
• XLogP: 14.45
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.63
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal?

The IUPAC name of (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal (CID 71726349) is (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal.

What is the SMILES notation for (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal?

The canonical SMILES for (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H]([C@H](C)[C@@H]1C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@H](O[Si](CC)(CC)CC)C/C=C/C=C/C(=O)O1)[C@@H](C)C=O.

What is the InChIKey of (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal?

The InChIKey is FQLHAQLMTVFIAB-YEZNXEADSA-N. The full InChI is InChI=1S/C53H100O8Si3/c1-18-62(19-2,20-3)59-50-32-28-27-29-34-51(55)58-49(45(14)53(44(13)40-54)61-64(24-7,25-8)26-9)33-30-31-47(56-16)39-41(10)35-36-42(11)48(57-17)38-37-43(12)52(46(50)15)60-63(21-4,22-5)23-6/h27-31,34,36,40-41,43-50,52-53H,18-26,32-33,35,37-39H2,1-17H3/b28-27+,31-30+,34-29+,42-36+/t41-,43-,44+,45-,46-,47+,48+,49+,50-,52-,53+/m1/s1.

What are the key properties of (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal?

(2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal has a molecular weight of 949.63 g/mol, XLogP of 14.45, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-4-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-16,18-bis(triethylsilyloxy)-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-2-methyl-3-triethylsilyloxypentanal is sourced from PubChem (CID 71726349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).