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

C21H50O7Si5 — CID 523330

IUPACbis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-18(22)25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19-,20?/m1/s1
InChIKeyDLLLLQVGPTWBCA-RIBPFEIKSA-N
MW555.05 g/mol
LogP5.79
Rot. Bonds13

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

bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate (PubChem CID 523330) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate
PubChem CID523330
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Namebis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-18(22)25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19-,20?/m1/s1
InChIKeyDLLLLQVGPTWBCA-RIBPFEIKSA-N
XLogP5.79
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate with MolForge

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate?
The IUPAC name of bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate (CID 523330) is bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate.
What is the SMILES notation for bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate?
The canonical SMILES for bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate is C[Si](C)(C)OC(=O)C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate?
The InChIKey is DLLLLQVGPTWBCA-RIBPFEIKSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-18(22)25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19-,20?/m1/s1.
What are the key properties of bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate?
bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate has a molecular weight of 555.05 g/mol, XLogP of 5.79, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (3R,4R)-2,3,4-tris(trimethylsilyloxy)hexanedioate is sourced from PubChem (CID 523330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).