bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate

C21H50O7Si5 — CID 91746737

IUPACbis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate
SMILESC[Si](C)(C)OC[C@@](CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17-21(28-33(13,14)15,20(23)27-32(10,11)12)16-18(25-30(4,5)6)19(22)26-31(7,8)9/h18H,16-17H2,1-15H3/t18?,21-/m1/s1
InChIKeyWNEDAUVACAQDIF-BDPMCISCSA-N
MW555.05 g/mol
LogP5.79
Rot. Bonds13

About bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate

bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate (PubChem CID 91746737) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate
PubChem CID91746737
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Namebis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate
SMILESC[Si](C)(C)OC[C@@](CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17-21(28-33(13,14)15,20(23)27-32(10,11)12)16-18(25-30(4,5)6)19(22)26-31(7,8)9/h18H,16-17H2,1-15H3/t18?,21-/m1/s1
InChIKeyWNEDAUVACAQDIF-BDPMCISCSA-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'}

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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
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-Hydroxyglutarate, TBDMS
CID 634802
Arabinonic acid, pentakis-TMS
CID 523307

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate?
The IUPAC name of bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate (CID 91746737) is bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate is C[Si](C)(C)OC[C@@](CC(O[Si](C)(C)C)C(=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) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate?
The InChIKey is WNEDAUVACAQDIF-BDPMCISCSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-17-21(28-33(13,14)15,20(23)27-32(10,11)12)16-18(25-30(4,5)6)19(22)26-31(7,8)9/h18H,16-17H2,1-15H3/t18?,21-/m1/s1.
What are the key properties of bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate?
bis(trimethylsilyl) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate 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) (2R)-2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanedioate is sourced from PubChem (CID 91746737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).