trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

C21H52O6Si5 — CID 523378

IUPACtrimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-17(23-28(2,3)4)18(24-29(5,6)7)19(25-30(8,9)10)20(26-31(11,12)13)21(22)27-32(14,15)16/h17-20H,1-16H3/t17-,18+,19+,20-/m0/s1
InChIKeyGJYJHENJLCOPHY-NMLBUPMWSA-N
MW541.07 g/mol
LogP6.26
Rot. Bonds13

About trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 523378) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID523378
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Nametrimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-17(23-28(2,3)4)18(24-29(5,6)7)19(25-30(8,9)10)20(26-31(11,12)13)21(22)27-32(14,15)16/h17-20H,1-16H3/t17-,18+,19+,20-/m0/s1
InChIKeyGJYJHENJLCOPHY-NMLBUPMWSA-N
XLogP6.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (CID 523378) is trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is GJYJHENJLCOPHY-NMLBUPMWSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-17(23-28(2,3)4)18(24-29(5,6)7)19(25-30(8,9)10)20(26-31(11,12)13)21(22)27-32(14,15)16/h17-20H,1-16H3/t17-,18+,19+,20-/m0/s1.
What are the key properties of trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 541.07 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 523378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).