(2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal

C33H76O6Si5 — CID 102304393

About (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal

(2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal (PubChem CID 102304393) has the molecular formula C33H76O6Si5 and a molecular weight of 709.39 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal.

Molecular Properties

• Compound Name: (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal
• PubChem CID: 102304393
• Molecular Formula: C33H76O6Si5
• Molecular Weight: 709.39 g/mol
• Exact Mass: 708.45
• IUPAC Name: (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C
• InChI: InChI=1S/C33H76O6Si5/c1-30(2,3)41(16,17)35-25-27(37-42(18,19)31(4,5)6)29(39-44(22,23)33(10,11)12)28(26(24-34)36-40(13,14)15)38-43(20,21)32(7,8)9/h24,26-29H,25H2,1-23H3/t26-,27+,28-,29-/m1/s1
• InChIKey: BDUGWCUKZZSUHD-VJLHXPKFSA-N
• XLogP: 10.60
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.39
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal?

The IUPAC name of (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal (CID 102304393) is (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal.

What is the SMILES notation for (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal?

The canonical SMILES for (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C.

What is the InChIKey of (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal?

The InChIKey is BDUGWCUKZZSUHD-VJLHXPKFSA-N. The full InChI is InChI=1S/C33H76O6Si5/c1-30(2,3)41(16,17)35-25-27(37-42(18,19)31(4,5)6)29(39-44(22,23)33(10,11)12)28(26(24-34)36-40(13,14)15)38-43(20,21)32(7,8)9/h24,26-29H,25H2,1-23H3/t26-,27+,28-,29-/m1/s1.

What are the key properties of (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal?

(2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal has a molecular weight of 709.39 g/mol, XLogP of 10.60, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal is sourced from PubChem (CID 102304393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).