trimethylsilyl hydrogen carbonate

C4H10O3Si — CID 22212146

IUPACtrimethylsilyl hydrogen carbonate
SMILESC[Si](C)(C)OC(=O)O
InChIInChI=1S/C4H10O3Si/c1-8(2,3)7-4(5)6/h1-3H3,(H,5,6)
InChIKeyXHAJMNZIPCBDMU-UHFFFAOYSA-N
MW134.21 g/mol
LogP1.52
Rot. Bonds1

About trimethylsilyl hydrogen carbonate

trimethylsilyl hydrogen carbonate (PubChem CID 22212146) has the molecular formula C4H10O3Si and a molecular weight of 134.21 g/mol. Its IUPAC name is trimethylsilyl hydrogen carbonate.

Molecular Properties

Compound Nametrimethylsilyl hydrogen carbonate
PubChem CID22212146
Molecular FormulaC4H10O3Si
Molecular Weight134.21 g/mol
Exact Mass134.04
IUPAC Nametrimethylsilyl hydrogen carbonate
SMILESC[Si](C)(C)OC(=O)O
InChIInChI=1S/C4H10O3Si/c1-8(2,3)7-4(5)6/h1-3H3,(H,5,6)
InChIKeyXHAJMNZIPCBDMU-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

TMS-Carbonsaure
CID 19885609
Carboxy trimethylsilyl carbonate
CID 91304270
[(Carboxy-hydroxy-methylsilyl)oxy-hydroxy-methylsilyl]formic acid
CID 23565768
[Carboxy(dimethyl)silyl]formic acid
CID 87229118
[Ethyl(dimethyl)silyl] hydrogen carbonate
CID 87315370
[Carboxy-[dicarboxy(methyl)silyl]oxy-methylsilyl]formic acid
CID 87995650
CID 88633618
CID 88633618
[(Carboxy-methoxy-methylsilyl)oxy-dimethylsilyl]formic acid
CID 88857412
[Hydroxy(methyl)silyl]formic acid
CID 123234632
[[Carboxy(dimethyl)silyl]oxy-dimethylsilyl]formic acid
CID 153554285
[Dimethoxy(methyl)silyl]formic acid
CID 154310480
Dimethylsilyl hydrogen carbonate
CID 154451780

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl hydrogen carbonate?
The IUPAC name of trimethylsilyl hydrogen carbonate (CID 22212146) is trimethylsilyl hydrogen carbonate.
What is the SMILES notation for trimethylsilyl hydrogen carbonate?
The canonical SMILES for trimethylsilyl hydrogen carbonate is C[Si](C)(C)OC(=O)O.
What is the InChIKey of trimethylsilyl hydrogen carbonate?
The InChIKey is XHAJMNZIPCBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3Si/c1-8(2,3)7-4(5)6/h1-3H3,(H,5,6).
What are the key properties of trimethylsilyl hydrogen carbonate?
trimethylsilyl hydrogen carbonate has a molecular weight of 134.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl hydrogen carbonate is sourced from PubChem (CID 22212146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).