4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde

C15H23FO2Si — CID 172585656

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)cc(F)c1C=O
InChIInChI=1S/C15H23FO2Si/c1-11-7-12(8-14(16)13(11)9-17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3
InChIKeyCQYVXQPIOWGXMX-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.47
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde (PubChem CID 172585656) has the molecular formula C15H23FO2Si and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde
PubChem CID172585656
Molecular FormulaC15H23FO2Si
Molecular Weight282.43 g/mol
Exact Mass282.15
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)cc(F)c1C=O
InChIInChI=1S/C15H23FO2Si/c1-11-7-12(8-14(16)13(11)9-17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3
InChIKeyCQYVXQPIOWGXMX-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.47
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde (CID 172585656) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde is Cc1cc(CO[Si](C)(C)C(C)(C)C)cc(F)c1C=O.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde?
The InChIKey is CQYVXQPIOWGXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2Si/c1-11-7-12(8-14(16)13(11)9-17)10-18-19(5,6)15(2,3)4/h7-9H,10H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde has a molecular weight of 282.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde is sourced from PubChem (CID 172585656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).