5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde

C11H15ClO2Si — CID 167714406

IUPAC5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
SMILESC[Si](C)(C)Oc1ccc(CCl)cc1C=O
InChIInChI=1S/C11H15ClO2Si/c1-15(2,3)14-11-5-4-9(7-12)6-10(11)8-13/h4-6,8H,7H2,1-3H3
InChIKeyIWLSXSBWNDCMFT-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.45
Rot. Bonds4

About 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde

5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde (PubChem CID 167714406) has the molecular formula C11H15ClO2Si and a molecular weight of 242.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
PubChem CID167714406
Molecular FormulaC11H15ClO2Si
Molecular Weight242.78 g/mol
Exact Mass242.05
IUPAC Name5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
SMILESC[Si](C)(C)Oc1ccc(CCl)cc1C=O
InChIInChI=1S/C11H15ClO2Si/c1-15(2,3)14-11-5-4-9(7-12)6-10(11)8-13/h4-6,8H,7H2,1-3H3
InChIKeyIWLSXSBWNDCMFT-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde?
The IUPAC name of 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde (CID 167714406) is 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde is C[Si](C)(C)Oc1ccc(CCl)cc1C=O.
What is the InChIKey of 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde?
The InChIKey is IWLSXSBWNDCMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2Si/c1-15(2,3)14-11-5-4-9(7-12)6-10(11)8-13/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde?
5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde has a molecular weight of 242.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 167714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).