(2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one

C46H92O6Si3 — CID 10605478

About (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one

(2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one (PubChem CID 10605478) has the molecular formula C46H92O6Si3 and a molecular weight of 825.49 g/mol. Its IUPAC name is (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one.

Molecular Properties

• Compound Name: (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
• PubChem CID: 10605478
• Molecular Formula: C46H92O6Si3
• Molecular Weight: 825.49 g/mol
• Exact Mass: 824.62
• IUPAC Name: (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
• SMILES: CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@H]1CC[C@H]([C@@H](C[C@H](CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O[Si](C)(C)C)O[Si](C)(C)C)O1
• InChI: InChI=1S/C46H92O6Si3/c1-12-13-14-15-16-17-22-25-28-31-34-44(51-54(6,7)8)42-35-36-43(49-42)45(52-55(9,10)11)38-41(50-53(3,4)5)33-30-27-24-21-19-18-20-23-26-29-32-40-37-39(2)48-46(40)47/h37,39,41-45H,12-36,38H2,1-11H3/t39-,41-,42+,43+,44-,45+/m0/s1
• InChIKey: OTWVDNTUGHKKKN-NAEQBOBQSA-N
• XLogP: 14.45
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 34
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.49
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one?

The IUPAC name of (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one (CID 10605478) is (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one.

What is the SMILES notation for (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one?

The canonical SMILES for (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one is CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@H]1CC[C@H]([C@@H](C[C@H](CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O[Si](C)(C)C)O[Si](C)(C)C)O1.

What is the InChIKey of (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one?

The InChIKey is OTWVDNTUGHKKKN-NAEQBOBQSA-N. The full InChI is InChI=1S/C46H92O6Si3/c1-12-13-14-15-16-17-22-25-28-31-34-44(51-54(6,7)8)42-35-36-43(49-42)45(52-55(9,10)11)38-41(50-53(3,4)5)33-30-27-24-21-19-18-20-23-26-29-32-40-37-39(2)48-46(40)47/h37,39,41-45H,12-36,38H2,1-11H3/t39-,41-,42+,43+,44-,45+/m0/s1.

What are the key properties of (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one?

(2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one has a molecular weight of 825.49 g/mol, XLogP of 14.45, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[(13S,15R)-13,15-bis(trimethylsilyloxy)-15-[(2R,5R)-5-[(1S)-1-trimethylsilyloxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10605478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).