2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde

C14H22O2Si — CID 10890342

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyYDSRFKLJZYYNOP-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.95
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde (PubChem CID 10890342) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde
PubChem CID10890342
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyYDSRFKLJZYYNOP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
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]oxy-2-phenylacetaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde (CID 10890342) is 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde is CC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde?
The InChIKey is YDSRFKLJZYYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-11,13H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetaldehyde has a molecular weight of 250.41 g/mol, XLogP of 3.95, 4 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]oxy-2-phenylacetaldehyde is sourced from PubChem (CID 10890342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).