2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde

C20H26O2Si — CID 10806072

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-19(2,3)23(4,5)22-20(16-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,1-5H3
InChIKeyXBOTWIGJWGHQHS-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.15
Rot. Bonds5

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

2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde (PubChem CID 10806072) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
PubChem CID10806072
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-19(2,3)23(4,5)22-20(16-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,1-5H3
InChIKeyXBOTWIGJWGHQHS-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.15
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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Related Compounds

tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
tert-butyl (2S,3R)-3-amino-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-2-phenylbutanoate
CID 154460917
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
CID 57371434
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
CID 175337315
tert-butylbenzene;methyl formate
CID 174802474
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
trimethyl-[(Z)-1,1,3-triphenylprop-2-enoxy]silane
CID 11233667
2-phenyl-2-pyridin-1-ium-1-yloxypropanal
CID 14787563
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
2-(3-methylbut-3-en-1-ynoxy)-2,2-diphenylacetaldehyde
CID 101099800

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde (CID 10806072) is 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde is CC(C)(C)[Si](C)(C)OC(C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde?
The InChIKey is XBOTWIGJWGHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-19(2,3)23(4,5)22-20(16-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde has a molecular weight of 326.51 g/mol, XLogP of 5.15, 5 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-2,2-diphenylacetaldehyde is sourced from PubChem (CID 10806072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).