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

C16H36O3Si2 — CID 14185910

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-14(11-17)13-19-21(9,10)16(4,5)6/h11,14H,12-13H2,1-10H3
InChIKeyPRTYBVIIJLAKAA-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.85
Rot. Bonds7

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

3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal (PubChem CID 14185910) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal
PubChem CID14185910
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-14(11-17)13-19-21(9,10)16(4,5)6/h11,14H,12-13H2,1-10H3
InChIKeyPRTYBVIIJLAKAA-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.85
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-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal (CID 14185910) is 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal is CC(C)(C)[Si](C)(C)OCC(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal?
The InChIKey is PRTYBVIIJLAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-12-14(11-17)13-19-21(9,10)16(4,5)6/h11,14H,12-13H2,1-10H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal?
3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal has a molecular weight of 332.63 g/mol, XLogP of 4.85, 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-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal is sourced from PubChem (CID 14185910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).