2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal

C10H22O2Si — CID 25191670

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
SMILESCC(C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(2,3)13(6,7)12-10(4,5)8-11/h8H,1-7H3
InChIKeyOQAQVPLXSFLMKL-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal

2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal (PubChem CID 25191670) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
PubChem CID25191670
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
SMILESCC(C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(2,3)13(6,7)12-10(4,5)8-11/h8H,1-7H3
InChIKeyOQAQVPLXSFLMKL-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal (CID 25191670) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal is CC(C)(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The InChIKey is OQAQVPLXSFLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(2,3)13(6,7)12-10(4,5)8-11/h8H,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal has a molecular weight of 202.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal is sourced from PubChem (CID 25191670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).