3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal

C10H22O3Si — CID 54307504

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCOC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3
InChIKeySIODVXPTWNFBJE-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.22
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal

3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal (PubChem CID 54307504) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
PubChem CID54307504
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCOC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3
InChIKeySIODVXPTWNFBJE-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal (CID 54307504) is 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal is COC(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The InChIKey is SIODVXPTWNFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-10(2,3)14(5,6)13-8-9(7-11)12-4/h7,9H,8H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal?
3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal has a molecular weight of 218.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal is sourced from PubChem (CID 54307504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).