3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde

C15H24O3Si — CID 174074491

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O3Si/c1-11-12(10-16)8-13(17-5)9-14(11)18-19(6,7)15(2,3)4/h8-10H,1-7H3
InChIKeyWLUYGCQPFIZSLG-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.20
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde (PubChem CID 174074491) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
PubChem CID174074491
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O3Si/c1-11-12(10-16)8-13(17-5)9-14(11)18-19(6,7)15(2,3)4/h8-10H,1-7H3
InChIKeyWLUYGCQPFIZSLG-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]oxy-4-methoxybenzaldehyde
CID 23165516
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
CID 11461073
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
tert-butyl-(2-ethenyl-4-methoxyphenoxy)-dimethylsilane
CID 10945326
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde
CID 11352018
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 167724287
4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde
CID 141430833
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde (CID 174074491) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde is COc1cc(C=O)c(C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde?
The InChIKey is WLUYGCQPFIZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-11-12(10-16)8-13(17-5)9-14(11)18-19(6,7)15(2,3)4/h8-10H,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde has a molecular weight of 280.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 174074491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).