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

C17H40O6Si4 — CID 523333

IUPACbis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14(13-15(18)21-25(4,5)6)16(22-26(7,8)9)17(19)23-27(10,11)12/h14,16H,13H2,1-12H3/t14-,16+/m1/s1
InChIKeyUMLJBUXQWLWNFR-ZBFHGGJFSA-N
MW452.85 g/mol
LogP4.57
Rot. Bonds10

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

bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate (PubChem CID 523333) has the molecular formula C17H40O6Si4 and a molecular weight of 452.85 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
PubChem CID523333
Molecular FormulaC17H40O6Si4
Molecular Weight452.85 g/mol
Exact Mass452.19
IUPAC Namebis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14(13-15(18)21-25(4,5)6)16(22-26(7,8)9)17(19)23-27(10,11)12/h14,16H,13H2,1-12H3/t14-,16+/m1/s1
InChIKeyUMLJBUXQWLWNFR-ZBFHGGJFSA-N
XLogP4.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
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
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Erythraric acid, TMS
CID 523397
Saccharic acid, TMS # 1
CID 523400
Xylonic acid, 2,3,4-tris-O-(trimethylsilyl)-, delta-lactone, D-
CID 523413
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Threonic acid, tetrakis-TMS
CID 528672

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The IUPAC name of bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate (CID 523333) is bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate is C[Si](C)(C)OC(=O)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 bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
The InChIKey is UMLJBUXQWLWNFR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H40O6Si4/c1-24(2,3)20-14(13-15(18)21-25(4,5)6)16(22-26(7,8)9)17(19)23-27(10,11)12/h14,16H,13H2,1-12H3/t14-,16+/m1/s1.
What are the key properties of bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate?
bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate has a molecular weight of 452.85 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2S,3R)-2,3-bis(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).