bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate

C20H48O7Si5 — CID 523409

IUPACbis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H48O7Si5/c1-28(2,3)23-16(17(24-29(4,5)6)19(21)26-31(10,11)12)18(25-30(7,8)9)20(22)27-32(13,14)15/h16-18H,1-15H3/t16?,17-,18+
InChIKeyQGJKSEWJPVGCIU-AYHJJNSGSA-N
MW541.03 g/mol
LogP5.40
Rot. Bonds12

About bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate

bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate (PubChem CID 523409) has the molecular formula C20H48O7Si5 and a molecular weight of 541.03 g/mol. Its IUPAC name is bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate
PubChem CID523409
Molecular FormulaC20H48O7Si5
Molecular Weight541.03 g/mol
Exact Mass540.22
IUPAC Namebis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H48O7Si5/c1-28(2,3)23-16(17(24-29(4,5)6)19(21)26-31(10,11)12)18(25-30(7,8)9)20(22)27-32(13,14)15/h16-18H,1-15H3/t16?,17-,18+
InChIKeyQGJKSEWJPVGCIU-AYHJJNSGSA-N
XLogP5.40
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.03
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate?
The IUPAC name of bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate (CID 523409) is bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate is C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(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,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate?
The InChIKey is QGJKSEWJPVGCIU-AYHJJNSGSA-N. The full InChI is InChI=1S/C20H48O7Si5/c1-28(2,3)23-16(17(24-29(4,5)6)19(21)26-31(10,11)12)18(25-30(7,8)9)20(22)27-32(13,14)15/h16-18H,1-15H3/t16?,17-,18+.
What are the key properties of bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate?
bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate has a molecular weight of 541.03 g/mol, XLogP of 5.40, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2R,4S)-2,3,4-tris(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 523409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).