bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate

C16H38O6Si4 — CID 523397

IUPACbis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O6Si4/c1-23(2,3)19-13(15(17)21-25(7,8)9)14(20-24(4,5)6)16(18)22-26(10,11)12/h13-14H,1-12H3/t13-,14+
InChIKeyLPQBQHQEJJCWBZ-OKILXGFUSA-N
MW438.82 g/mol
LogP4.18
Rot. Bonds9

About bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate

bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 523397) has the molecular formula C16H38O6Si4 and a molecular weight of 438.82 g/mol. Its IUPAC name is bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID523397
Molecular FormulaC16H38O6Si4
Molecular Weight438.82 g/mol
Exact Mass438.17
IUPAC Namebis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O6Si4/c1-23(2,3)19-13(15(17)21-25(7,8)9)14(20-24(4,5)6)16(18)22-26(10,11)12/h13-14H,1-12H3/t13-,14+
InChIKeyLPQBQHQEJJCWBZ-OKILXGFUSA-N
XLogP4.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 54.18
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 bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate (CID 523397) is bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate is C[Si](C)(C)OC(=O)[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 bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is LPQBQHQEJJCWBZ-OKILXGFUSA-N. The full InChI is InChI=1S/C16H38O6Si4/c1-23(2,3)19-13(15(17)21-25(7,8)9)14(20-24(4,5)6)16(18)22-26(10,11)12/h13-14H,1-12H3/t13-,14+.
What are the key properties of bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate?
bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 438.82 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2R,3S)-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 523397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).