dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

C18H38O6Si2 — CID 15098268

IUPACdimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C18H38O6Si2/c1-17(2,3)25(9,10)23-13(15(19)21-7)14(16(20)22-8)24-26(11,12)18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1
InChIKeyUXUMTMVSWMDPQE-ZIAGYGMSSA-N
MW406.67 g/mol
LogP4.11
Rot. Bonds7

About dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (PubChem CID 15098268) has the molecular formula C18H38O6Si2 and a molecular weight of 406.67 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
PubChem CID15098268
Molecular FormulaC18H38O6Si2
Molecular Weight406.67 g/mol
Exact Mass406.22
IUPAC Namedimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C18H38O6Si2/c1-17(2,3)25(9,10)23-13(15(19)21-7)14(16(20)22-8)24-26(11,12)18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1
InChIKeyUXUMTMVSWMDPQE-ZIAGYGMSSA-N
XLogP4.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.11
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

Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Erythraric acid, TMS
CID 523397
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
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028
1-Ethyl 4-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696650
4-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696660
Citramalic acid, 3TBDMS derivative
CID 91745249

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (CID 15098268) is dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The InChIKey is UXUMTMVSWMDPQE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H38O6Si2/c1-17(2,3)25(9,10)23-13(15(19)21-7)14(16(20)22-8)24-26(11,12)18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate has a molecular weight of 406.67 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is sourced from PubChem (CID 15098268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).