(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one

C47H82O6Si2 — CID 134864404

About (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one

(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one (PubChem CID 134864404) has the molecular formula C47H82O6Si2 and a molecular weight of 799.34 g/mol. Its IUPAC name is (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one.

Molecular Properties

• Compound Name: (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one
• PubChem CID: 134864404
• Molecular Formula: C47H82O6Si2
• Molecular Weight: 799.34 g/mol
• Exact Mass: 798.56
• IUPAC Name: (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one
• SMILES: CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H](O)C#CCCCC#C/C=C/C[C@H](CC2=C[C@H](C)OC2=O)O[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C47H82O6Si2/c1-13-14-15-16-17-18-19-24-27-30-33-44(53-55(11,12)47(6,7)8)43-35-34-42(51-43)41(48)32-29-26-23-21-20-22-25-28-31-40(52-54(9,10)46(3,4)5)37-39-36-38(2)50-45(39)49/h25,28,36,38,40-44,48H,13-19,21,23-24,26-27,30-31,33-35,37H2,1-12H3/b28-25+/t38-,40+,41+,42+,43+,44+/m0/s1
• InChIKey: VARZGFMBBWVXBR-KPFOEZSBSA-N
• XLogP: 12.37
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.34
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one?

The IUPAC name of (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one (CID 134864404) is (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one.

What is the SMILES notation for (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one?

The canonical SMILES for (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@H](O)C#CCCCC#C/C=C/C[C@H](CC2=C[C@H](C)OC2=O)O[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one?

The InChIKey is VARZGFMBBWVXBR-KPFOEZSBSA-N. The full InChI is InChI=1S/C47H82O6Si2/c1-13-14-15-16-17-18-19-24-27-30-33-44(53-55(11,12)47(6,7)8)43-35-34-42(51-43)41(48)32-29-26-23-21-20-22-25-28-31-40(52-54(9,10)46(3,4)5)37-39-36-38(2)50-45(39)49/h25,28,36,38,40-44,48H,13-19,21,23-24,26-27,30-31,33-35,37H2,1-12H3/b28-25+/t38-,40+,41+,42+,43+,44+/m0/s1.

What are the key properties of (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one?

(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one has a molecular weight of 799.34 g/mol, XLogP of 12.37, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 134864404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).