trimethylsilyloxy hydrogen carbonate

C4H10O4Si — CID 172761432

IUPACtrimethylsilyloxy hydrogen carbonate
SMILESC[Si](C)(C)OOC(=O)O
InChIInChI=1S/C4H10O4Si/c1-9(2,3)8-7-4(5)6/h1-3H3,(H,5,6)
InChIKeyLSVJNQHHDYTGPK-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.45
Rot. Bonds2

About trimethylsilyloxy hydrogen carbonate

trimethylsilyloxy hydrogen carbonate (PubChem CID 172761432) has the molecular formula C4H10O4Si and a molecular weight of 150.21 g/mol. Its IUPAC name is trimethylsilyloxy hydrogen carbonate.

Molecular Properties

Compound Nametrimethylsilyloxy hydrogen carbonate
PubChem CID172761432
Molecular FormulaC4H10O4Si
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Nametrimethylsilyloxy hydrogen carbonate
SMILESC[Si](C)(C)OOC(=O)O
InChIInChI=1S/C4H10O4Si/c1-9(2,3)8-7-4(5)6/h1-3H3,(H,5,6)
InChIKeyLSVJNQHHDYTGPK-UHFFFAOYSA-N
XLogP1.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyloxy hydrogen carbonate?
The IUPAC name of trimethylsilyloxy hydrogen carbonate (CID 172761432) is trimethylsilyloxy hydrogen carbonate.
What is the SMILES notation for trimethylsilyloxy hydrogen carbonate?
The canonical SMILES for trimethylsilyloxy hydrogen carbonate is C[Si](C)(C)OOC(=O)O.
What is the InChIKey of trimethylsilyloxy hydrogen carbonate?
The InChIKey is LSVJNQHHDYTGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4Si/c1-9(2,3)8-7-4(5)6/h1-3H3,(H,5,6).
What are the key properties of trimethylsilyloxy hydrogen carbonate?
trimethylsilyloxy hydrogen carbonate has a molecular weight of 150.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyloxy hydrogen carbonate is sourced from PubChem (CID 172761432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).