[ethyl(dimethyl)silyl] hydrogen carbonate

C5H12O3Si — CID 87315370

IUPAC[ethyl(dimethyl)silyl] hydrogen carbonate
SMILESCC[Si](C)(C)OC(=O)O
InChIInChI=1S/C5H12O3Si/c1-4-9(2,3)8-5(6)7/h4H2,1-3H3,(H,6,7)
InChIKeyKJMCJENKBGJPPZ-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.91
Rot. Bonds2

About [ethyl(dimethyl)silyl] hydrogen carbonate

[ethyl(dimethyl)silyl] hydrogen carbonate (PubChem CID 87315370) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] hydrogen carbonate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] hydrogen carbonate
PubChem CID87315370
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name[ethyl(dimethyl)silyl] hydrogen carbonate
SMILESCC[Si](C)(C)OC(=O)O
InChIInChI=1S/C5H12O3Si/c1-4-9(2,3)8-5(6)7/h4H2,1-3H3,(H,6,7)
InChIKeyKJMCJENKBGJPPZ-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl(dimethyl)silyl] hydrogen carbonate?
The IUPAC name of [ethyl(dimethyl)silyl] hydrogen carbonate (CID 87315370) is [ethyl(dimethyl)silyl] hydrogen carbonate.
What is the SMILES notation for [ethyl(dimethyl)silyl] hydrogen carbonate?
The canonical SMILES for [ethyl(dimethyl)silyl] hydrogen carbonate is CC[Si](C)(C)OC(=O)O.
What is the InChIKey of [ethyl(dimethyl)silyl] hydrogen carbonate?
The InChIKey is KJMCJENKBGJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-4-9(2,3)8-5(6)7/h4H2,1-3H3,(H,6,7).
What are the key properties of [ethyl(dimethyl)silyl] hydrogen carbonate?
[ethyl(dimethyl)silyl] hydrogen carbonate has a molecular weight of 148.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] hydrogen carbonate is sourced from PubChem (CID 87315370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).