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

C14H22O3Si — CID 86607089

IUPAC3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(C=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-12-9-13(10-15)5-6-14(12)17-11-16-7-8-18(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyVHEASKQYTCUGQU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.50
Rot. Bonds7

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

3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (PubChem CID 86607089) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
PubChem CID86607089
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(C=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-12-9-13(10-15)5-6-14(12)17-11-16-7-8-18(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyVHEASKQYTCUGQU-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.50
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 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The IUPAC name of 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (CID 86607089) is 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.
What is the SMILES notation for 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The canonical SMILES for 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is Cc1cc(C=O)ccc1OCOCC[Si](C)(C)C.
What is the InChIKey of 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The InChIKey is VHEASKQYTCUGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-12-9-13(10-15)5-6-14(12)17-11-16-7-8-18(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is sourced from PubChem (CID 86607089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).