trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate

C21H52O6Si5 — CID 523323

IUPACtrimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
SMILESC[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-21(27-32(14,15)16,20(22)26-31(11,12)13)19(25-30(8,9)10)18(24-29(5,6)7)17-23-28(2,3)4/h18-19H,17H2,1-16H3/t18-,19-,21-/m0/s1
InChIKeySOYWKUNHUVGLPR-ZJOUEHCJSA-N
MW541.07 g/mol
LogP6.27
Rot. Bonds13

About trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate

trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate (PubChem CID 523323) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
PubChem CID523323
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Nametrimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
SMILESC[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-21(27-32(14,15)16,20(22)26-31(11,12)13)19(25-30(8,9)10)18(24-29(5,6)7)17-23-28(2,3)4/h18-19H,17H2,1-16H3/t18-,19-,21-/m0/s1
InChIKeySOYWKUNHUVGLPR-ZJOUEHCJSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 56.27
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
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
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate (CID 523323) is trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate is C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The InChIKey is SOYWKUNHUVGLPR-ZJOUEHCJSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-21(27-32(14,15)16,20(22)26-31(11,12)13)19(25-30(8,9)10)18(24-29(5,6)7)17-23-28(2,3)4/h18-19H,17H2,1-16H3/t18-,19-,21-/m0/s1.
What are the key properties of trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate has a molecular weight of 541.07 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3S,4S)-2-methyl-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 523323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).