[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane

C55H116O14Si4 — CID 161171387

About [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane

[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane (PubChem CID 161171387) has the molecular formula C55H116O14Si4 and a molecular weight of 1113.86 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane
• PubChem CID: 161171387
• Molecular Formula: C55H116O14Si4
• Molecular Weight: 1113.86 g/mol
• Exact Mass: 1112.74
• IUPAC Name: [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane
• SMILES: C.CO[C@@H]1[C@@H](CO)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.CO[C@@H]1[C@H](CO)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/2C27H56O7Si2.CH4/c2*1-25(2,3)24(29)31-18-22-20(16-28)23(30-10)21(33-22)15-19(34-36(13,14)27(7,8)9)17-32-35(11,12)26(4,5)6;/h2*19-23,28H,15-18H2,1-14H3;1H4/t19-,20+,21+,22-,23+;19-,20-,21+,22-,23+;/m00./s1
• InChIKey: URFLCUOODRXGKE-PYPJJSLOSA-N
• XLogP: 12.17
• TPSA: 166.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.86
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane?

The IUPAC name of [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane (CID 161171387) is [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane.

What is the SMILES notation for [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane?

The canonical SMILES for [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane is C.CO[C@@H]1[C@@H](CO)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.CO[C@@H]1[C@H](CO)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane?

The InChIKey is URFLCUOODRXGKE-PYPJJSLOSA-N. The full InChI is InChI=1S/2C27H56O7Si2.CH4/c2*1-25(2,3)24(29)31-18-22-20(16-28)23(30-10)21(33-22)15-19(34-36(13,14)27(7,8)9)17-32-35(11,12)26(4,5)6;/h2*19-23,28H,15-18H2,1-14H3;1H4/t19-,20+,21+,22-,23+;19-,20-,21+,22-,23+;/m00./s1.

What are the key properties of [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane?

[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane has a molecular weight of 1113.86 g/mol, XLogP of 12.17, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate;methane is sourced from PubChem (CID 161171387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).