2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde

C13H19ClO2Si — CID 167734827

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1C=O
InChIInChI=1S/C13H19ClO2Si/c1-13(2,3)17(4,5)16-12-8-6-7-11(14)10(12)9-15/h6-9H,1-5H3
InChIKeyQPYRUYGXRCNSDM-UHFFFAOYSA-N
MW270.83 g/mol
LogP4.54
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde

2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde (PubChem CID 167734827) has the molecular formula C13H19ClO2Si and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
PubChem CID167734827
Molecular FormulaC13H19ClO2Si
Molecular Weight270.83 g/mol
Exact Mass270.08
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1C=O
InChIInChI=1S/C13H19ClO2Si/c1-13(2,3)17(4,5)16-12-8-6-7-11(14)10(12)9-15/h6-9H,1-5H3
InChIKeyQPYRUYGXRCNSDM-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 54.54
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

2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
2,6-dichlorobenzaldehyde;ethane
CID 90823593
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
CID 167725112
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
CID 102019933
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-8-chloronaphthalen-2-yl]oxy-dimethylsilane
CID 15437908
2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde (CID 167734827) is 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde is CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1C=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde?
The InChIKey is QPYRUYGXRCNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2Si/c1-13(2,3)17(4,5)16-12-8-6-7-11(14)10(12)9-15/h6-9H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde has a molecular weight of 270.83 g/mol, XLogP of 4.54, 3 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-6-chlorobenzaldehyde is sourced from PubChem (CID 167734827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).