dimethylsilyl hydrogen carbonate

C3H8O3Si — CID 154451780

IUPACdimethylsilyl hydrogen carbonate
SMILESC[SiH](C)OC(=O)O
InChIInChI=1S/C3H8O3Si/c1-7(2)6-3(4)5/h7H,1-2H3,(H,4,5)
InChIKeyZBQDLPKYERTFSK-UHFFFAOYSA-N
MW120.18 g/mol
LogP0.66
Rot. Bonds1

About dimethylsilyl hydrogen carbonate

dimethylsilyl hydrogen carbonate (PubChem CID 154451780) has the molecular formula C3H8O3Si and a molecular weight of 120.18 g/mol. Its IUPAC name is dimethylsilyl hydrogen carbonate.

Molecular Properties

Compound Namedimethylsilyl hydrogen carbonate
PubChem CID154451780
Molecular FormulaC3H8O3Si
Molecular Weight120.18 g/mol
Exact Mass120.02
IUPAC Namedimethylsilyl hydrogen carbonate
SMILESC[SiH](C)OC(=O)O
InChIInChI=1S/C3H8O3Si/c1-7(2)6-3(4)5/h7H,1-2H3,(H,4,5)
InChIKeyZBQDLPKYERTFSK-UHFFFAOYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 50.66
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 dimethylsilyl hydrogen carbonate?
The IUPAC name of dimethylsilyl hydrogen carbonate (CID 154451780) is dimethylsilyl hydrogen carbonate.
What is the SMILES notation for dimethylsilyl hydrogen carbonate?
The canonical SMILES for dimethylsilyl hydrogen carbonate is C[SiH](C)OC(=O)O.
What is the InChIKey of dimethylsilyl hydrogen carbonate?
The InChIKey is ZBQDLPKYERTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3Si/c1-7(2)6-3(4)5/h7H,1-2H3,(H,4,5).
What are the key properties of dimethylsilyl hydrogen carbonate?
dimethylsilyl hydrogen carbonate has a molecular weight of 120.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl hydrogen carbonate is sourced from PubChem (CID 154451780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).