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

C16H26O3Si — CID 13496830

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)OCc1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-15(11-17)18-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3
InChIKeyCVXIPPSJAASVOW-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.79
Rot. Bonds7

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

3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal (PubChem CID 13496830) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal
PubChem CID13496830
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)OCc1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-15(11-17)18-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3
InChIKeyCVXIPPSJAASVOW-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.79
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-phenylmethoxypropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal (CID 13496830) is 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal is CC(C)(C)[Si](C)(C)OCC(C=O)OCc1ccccc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal?
The InChIKey is CVXIPPSJAASVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-15(11-17)18-12-14-9-7-6-8-10-14/h6-11,15H,12-13H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal?
3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropanal has a molecular weight of 294.47 g/mol, XLogP of 3.79, 7 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-phenylmethoxypropanal is sourced from PubChem (CID 13496830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).