2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde

C17H28O3Si — CID 10590949

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
SMILESCOc1cc(C)c(CC=O)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-12-11-15(19-6)16(13(2)14(12)9-10-18)20-21(7,8)17(3,4)5/h10-11H,9H2,1-8H3
InChIKeyHKHXTDRNEFXPPG-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.44
Rot. Bonds5

About 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde

2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde (PubChem CID 10590949) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
PubChem CID10590949
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
SMILESCOc1cc(C)c(CC=O)c(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-12-11-15(19-6)16(13(2)14(12)9-10-18)20-21(7,8)17(3,4)5/h10-11H,9H2,1-8H3
InChIKeyHKHXTDRNEFXPPG-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde (CID 10590949) is 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde is COc1cc(C)c(CC=O)c(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde?
The InChIKey is HKHXTDRNEFXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-12-11-15(19-6)16(13(2)14(12)9-10-18)20-21(7,8)17(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde?
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde has a molecular weight of 308.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde is sourced from PubChem (CID 10590949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).