3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde

C16H26O3Si — CID 58168613

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCOCc1cccc(C=O)c1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-10-9-18-13-15-8-6-7-14(11-15)12-17/h6-8,11-12H,9-10,13H2,1-5H3
InChIKeyRWTKLKFDQOASQA-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.04
Rot. Bonds7

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde

3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde (PubChem CID 58168613) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
PubChem CID58168613
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCOCc1cccc(C=O)c1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-10-9-18-13-15-8-6-7-14(11-15)12-17/h6-8,11-12H,9-10,13H2,1-5H3
InChIKeyRWTKLKFDQOASQA-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.04
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'}

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Related Compounds

3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11104789
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
CID 139770376
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde (CID 58168613) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde is CC(C)(C)[Si](C)(C)OCCOCc1cccc(C=O)c1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde?
The InChIKey is RWTKLKFDQOASQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-10-9-18-13-15-8-6-7-14(11-15)12-17/h6-8,11-12H,9-10,13H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde?
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde has a molecular weight of 294.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde is sourced from PubChem (CID 58168613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).