3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde

C14H22O2Si — CID 87059060

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O2Si/c1-11-7-8-12(10-15)9-13(11)16-17(5,6)14(2,3)4/h7-10H,1-6H3
InChIKeyNUXPCIRLSHZTNH-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.19
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde (PubChem CID 87059060) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
PubChem CID87059060
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22O2Si/c1-11-7-8-12(10-15)9-13(11)16-17(5,6)14(2,3)4/h7-10H,1-6H3
InChIKeyNUXPCIRLSHZTNH-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.19
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

4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
CID 87197183
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
CID 18352505
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
3-[5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-bicyclo[4.2.0]octa-1,3,5-trienyl]benzaldehyde
CID 123567881
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde (CID 87059060) is 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde is Cc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde?
The InChIKey is NUXPCIRLSHZTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-11-7-8-12(10-15)9-13(11)16-17(5,6)14(2,3)4/h7-10H,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde has a molecular weight of 250.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde is sourced from PubChem (CID 87059060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).