2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde

C15H24O3Si — CID 158102826

IUPAC2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(C)c(C=O)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C15H24O3Si/c1-12-8-13(2)14(10-16)15(9-12)18-11-17-6-7-19(3,4)5/h8-10H,6-7,11H2,1-5H3
InChIKeyKAQYTBKYSRWHHH-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.81
Rot. Bonds7

About 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde

2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde (PubChem CID 158102826) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
PubChem CID158102826
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(C)c(C=O)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C15H24O3Si/c1-12-8-13(2)14(10-16)15(9-12)18-11-17-6-7-19(3,4)5/h8-10H,6-7,11H2,1-5H3
InChIKeyKAQYTBKYSRWHHH-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The IUPAC name of 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde (CID 158102826) is 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde.
What is the SMILES notation for 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The canonical SMILES for 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde is Cc1cc(C)c(C=O)c(OCOCC[Si](C)(C)C)c1.
What is the InChIKey of 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The InChIKey is KAQYTBKYSRWHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-12-8-13(2)14(10-16)15(9-12)18-11-17-6-7-19(3,4)5/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde?
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde has a molecular weight of 280.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde is sourced from PubChem (CID 158102826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).