bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate

C24H58O8Si6 — CID 91746746

IUPACbis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate
SMILESC[Si](C)(C)OC[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)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19-20(28-34(4,5)6)21(29-35(7,8)9)24(32-38(16,17)18,22(25)30-36(10,11)12)23(26)31-37(13,14)15/h20-21H,19H2,1-18H3/t20-,21+/m1/s1
InChIKeyPEUWEFJXHJKYKW-RTWAWAEBSA-N
MW643.24 g/mol
LogP6.62
Rot. Bonds15

About bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate

bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate (PubChem CID 91746746) has the molecular formula C24H58O8Si6 and a molecular weight of 643.24 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate
PubChem CID91746746
Molecular FormulaC24H58O8Si6
Molecular Weight643.24 g/mol
Exact Mass642.27
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate
SMILESC[Si](C)(C)OC[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)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19-20(28-34(4,5)6)21(29-35(7,8)9)24(32-38(16,17)18,22(25)30-36(10,11)12)23(26)31-37(13,14)15/h20-21H,19H2,1-18H3/t20-,21+/m1/s1
InChIKeyPEUWEFJXHJKYKW-RTWAWAEBSA-N
XLogP6.62
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.24
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
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
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
Arabinonic acid, pentakis-TMS
CID 523307
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323
2-C-Methylerythronic acid, tris-TMS
CID 523325
2-Deoxy-threo-pentaric acid, TMS
CID 523333
3-Deoxy-2-C-hydroxymethyl-erythro-pentaric acid, TMS
CID 523352
3-Deoxy-2-C-hydroxymethyl-threo-pentonic acid, pentakis-TMS
CID 523357

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate (CID 91746746) is bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate is C[Si](C)(C)OC[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)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate?
The InChIKey is PEUWEFJXHJKYKW-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H58O8Si6/c1-33(2,3)27-19-20(28-34(4,5)6)21(29-35(7,8)9)24(32-38(16,17)18,22(25)30-36(10,11)12)23(26)31-37(13,14)15/h20-21H,19H2,1-18H3/t20-,21+/m1/s1.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate has a molecular weight of 643.24 g/mol, XLogP of 6.62, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxy-2-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]propanedioate is sourced from PubChem (CID 91746746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).