bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate

C17H40O6Si4 — CID 523328

IUPACbis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate
SMILESC[Si](C)(C)OC[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14-17(23-27(10,11)12,16(19)22-26(7,8)9)13-15(18)21-25(4,5)6/h13-14H2,1-12H3/t17-/m0/s1
InChIKeyCUGMQWBISPXASF-KRWDZBQOSA-N
MW452.85 g/mol
LogP4.57
Rot. Bonds10

About bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate

bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate (PubChem CID 523328) has the molecular formula C17H40O6Si4 and a molecular weight of 452.85 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate
PubChem CID523328
Molecular FormulaC17H40O6Si4
Molecular Weight452.85 g/mol
Exact Mass452.19
IUPAC Namebis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate
SMILESC[Si](C)(C)OC[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14-17(23-27(10,11)12,16(19)22-26(7,8)9)13-15(18)21-25(4,5)6/h13-14H2,1-12H3/t17-/m0/s1
InChIKeyCUGMQWBISPXASF-KRWDZBQOSA-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

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Erythraric acid, TMS
CID 523397
Citramalic acid, TMS
CID 526005
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Threonic acid, tetrakis-TMS
CID 528672
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate?
The IUPAC name of bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate (CID 523328) is bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate?
The canonical SMILES for bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate is C[Si](C)(C)OC[C@](CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate?
The InChIKey is CUGMQWBISPXASF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H40O6Si4/c1-24(2,3)20-14-17(23-27(10,11)12,16(19)22-26(7,8)9)13-15(18)21-25(4,5)6/h13-14H2,1-12H3/t17-/m0/s1.
What are the key properties of bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate?
bis(trimethylsilyl) (2S)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate 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)-2-trimethylsilyloxy-2-(trimethylsilyloxymethyl)butanedioate is sourced from PubChem (CID 523328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).