3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde

C11H15ClO2Si — CID 167716378

IUPAC3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde
SMILESCc1cc(Cl)c(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C11H15ClO2Si/c1-8-5-9(7-13)11(10(12)6-8)14-15(2,3)4/h5-7H,1-4H3
InChIKeyJJKZJGIYFWSGKX-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.67
Rot. Bonds3

About 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde

3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde (PubChem CID 167716378) has the molecular formula C11H15ClO2Si and a molecular weight of 242.78 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde
PubChem CID167716378
Molecular FormulaC11H15ClO2Si
Molecular Weight242.78 g/mol
Exact Mass242.05
IUPAC Name3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde
SMILESCc1cc(Cl)c(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C11H15ClO2Si/c1-8-5-9(7-13)11(10(12)6-8)14-15(2,3)4/h5-7H,1-4H3
InChIKeyJJKZJGIYFWSGKX-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 53.67
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-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde?
The IUPAC name of 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde (CID 167716378) is 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde is Cc1cc(Cl)c(O[Si](C)(C)C)c(C=O)c1.
What is the InChIKey of 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde?
The InChIKey is JJKZJGIYFWSGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2Si/c1-8-5-9(7-13)11(10(12)6-8)14-15(2,3)4/h5-7H,1-4H3.
What are the key properties of 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde?
3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde has a molecular weight of 242.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 167716378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).