3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde

C15H24O4Si — CID 166173195

IUPAC3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-5-18-15-10-13(11-16)6-7-14(15)19-12-17-8-9-20(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyREKAVIVKGWCLPO-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.59
Rot. Bonds9

About 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde

3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (PubChem CID 166173195) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
PubChem CID166173195
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-5-18-15-10-13(11-16)6-7-14(15)19-12-17-8-9-20(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyREKAVIVKGWCLPO-UHFFFAOYSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[(4-ethenyl-2-ethoxyphenoxy)methoxy]ethyl-trimethylsilane
CID 168749605
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 28782509
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (CID 166173195) is 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is CCOc1cc(C=O)ccc1OCOCC[Si](C)(C)C.
What is the InChIKey of 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The InChIKey is REKAVIVKGWCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-5-18-15-10-13(11-16)6-7-14(15)19-12-17-8-9-20(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3.
What are the key properties of 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde has a molecular weight of 296.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is sourced from PubChem (CID 166173195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).