3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde

C20H26O3Si — CID 139770376

IUPAC3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)22-15-16-9-11-18(12-10-16)23-19-8-6-7-17(13-19)14-21/h6-14H,15H2,1-5H3
InChIKeyHIWHUOOPEZEEFK-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.81
Rot. Bonds6

About 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde

3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde (PubChem CID 139770376) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde.

Molecular Properties

Compound Name3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
PubChem CID139770376
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)22-15-16-9-11-18(12-10-16)23-19-8-6-7-17(13-19)14-21/h6-14H,15H2,1-5H3
InChIKeyHIWHUOOPEZEEFK-UHFFFAOYSA-N
XLogP5.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.81
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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Related Compounds

(E)-3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]phenyl]-2-methylprop-2-enoic acid
CID 139770385
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]benzaldehyde
CID 58168613
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-(4-bromophenoxy)benzaldehyde
CID 12874363
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
CID 160501049
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine
CID 86728757
3-(4-butan-2-ylphenoxy)benzaldehyde
CID 107665630
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
CID 85417491
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde?
The IUPAC name of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde (CID 139770376) is 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde.
What is the SMILES notation for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde?
The canonical SMILES for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde is CC(C)(C)[Si](C)(C)OCc1ccc(Oc2cccc(C=O)c2)cc1.
What is the InChIKey of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde?
The InChIKey is HIWHUOOPEZEEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)22-15-16-9-11-18(12-10-16)23-19-8-6-7-17(13-19)14-21/h6-14H,15H2,1-5H3.
What are the key properties of 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde?
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde has a molecular weight of 342.51 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde is sourced from PubChem (CID 139770376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).