3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde

C14H22O2Si — CID 15661765

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C=O)c1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-10H,11H2,1-5H3
InChIKeyAEUWKERRFUWVSZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.02
Rot. Bonds4

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde

3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde (PubChem CID 15661765) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
PubChem CID15661765
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C=O)c1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-10H,11H2,1-5H3
InChIKeyAEUWKERRFUWVSZ-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.02
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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde (CID 15661765) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde is CC(C)(C)[Si](C)(C)OCc1cccc(C=O)c1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The InChIKey is AEUWKERRFUWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-10H,11H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde has a molecular weight of 250.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde is sourced from PubChem (CID 15661765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).