2-[tert-butyl(dimethyl)silyl]oxypropanal

C9H20O2Si — CID 10932206

IUPAC2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3
InChIKeyYMIIHJBTQLZXBV-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxypropanal

2-[tert-butyl(dimethyl)silyl]oxypropanal (PubChem CID 10932206) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxypropanal
PubChem CID10932206
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3
InChIKeyYMIIHJBTQLZXBV-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
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]oxypropanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypropanal (CID 10932206) is 2-[tert-butyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxypropanal is CC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxypropanal?
The InChIKey is YMIIHJBTQLZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxypropanal?
2-[tert-butyl(dimethyl)silyl]oxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.60, 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]oxypropanal is sourced from PubChem (CID 10932206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).