trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate

C21H52O6Si5 — CID 553971

IUPACtrimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate
SMILESC[Si](C)(C)OCC(CC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)16-21(27-32(13,14)15,18-24-29(4,5)6)20(22)26-31(10,11)12/h19H,16-18H2,1-15H3
InChIKeyCOPXMBFDIHFMGG-UHFFFAOYSA-N
MW541.07 g/mol
LogP6.27
Rot. Bonds14

About trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate

trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate (PubChem CID 553971) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate
PubChem CID553971
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Nametrimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate
SMILESC[Si](C)(C)OCC(CC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)16-21(27-32(13,14)15,18-24-29(4,5)6)20(22)26-31(10,11)12/h19H,16-18H2,1-15H3
InChIKeyCOPXMBFDIHFMGG-UHFFFAOYSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
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
2-Hydroxyglutarate, TBDMS
CID 634802
Arabinonic acid, pentakis-TMS
CID 523307
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate?
The IUPAC name of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate (CID 553971) is trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate.
What is the SMILES notation for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate?
The canonical SMILES for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate is C[Si](C)(C)OCC(CC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate?
The InChIKey is COPXMBFDIHFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)16-21(27-32(13,14)15,18-24-29(4,5)6)20(22)26-31(10,11)12/h19H,16-18H2,1-15H3.
What are the key properties of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate?
trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate has a molecular weight of 541.07 g/mol, XLogP of 6.27, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)pentanoate is sourced from PubChem (CID 553971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).