3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde

C14H21BrO2Si — CID 167731074

IUPAC3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde
SMILESCc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1C=O
InChIInChI=1S/C14H21BrO2Si/c1-10-7-8-12(15)13(11(10)9-16)17-18(5,6)14(2,3)4/h7-9H,1-6H3
InChIKeyKGECPPWHRXERQF-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.95
Rot. Bonds3

About 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde

3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde (PubChem CID 167731074) has the molecular formula C14H21BrO2Si and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde
PubChem CID167731074
Molecular FormulaC14H21BrO2Si
Molecular Weight329.31 g/mol
Exact Mass328.05
IUPAC Name3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde
SMILESCc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1C=O
InChIInChI=1S/C14H21BrO2Si/c1-10-7-8-12(15)13(11(10)9-16)17-18(5,6)14(2,3)4/h7-9H,1-6H3
InChIKeyKGECPPWHRXERQF-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.95
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

6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
(3-bromo-2,6-dimethylphenoxy)-tert-butyl-dimethylsilane
CID 59132118
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
CID 167734827
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
CID 139231177
(6-bromo-2,3-dimethylphenoxy)-trimethylsilane
CID 167731755
3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylbenzenesulfonic acid
CID 86602603
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde?
The IUPAC name of 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde (CID 167731074) is 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde?
The canonical SMILES for 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde is Cc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1C=O.
What is the InChIKey of 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde?
The InChIKey is KGECPPWHRXERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2Si/c1-10-7-8-12(15)13(11(10)9-16)17-18(5,6)14(2,3)4/h7-9H,1-6H3.
What are the key properties of 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde?
3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde has a molecular weight of 329.31 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde is sourced from PubChem (CID 167731074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).