4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde

C13H21NO2Si — CID 140721041

IUPAC4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
SMILESCN(C)C[Si](C)(C)COc1ccc(C=O)cc1
InChIInChI=1S/C13H21NO2Si/c1-14(2)10-17(3,4)11-16-13-7-5-12(9-15)6-8-13/h5-9H,10-11H2,1-4H3
InChIKeyATKCBEXNANTWTA-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.23
Rot. Bonds6

About 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde

4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde (PubChem CID 140721041) has the molecular formula C13H21NO2Si and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
PubChem CID140721041
Molecular FormulaC13H21NO2Si
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
SMILESCN(C)C[Si](C)(C)COc1ccc(C=O)cc1
InChIInChI=1S/C13H21NO2Si/c1-14(2)10-17(3,4)11-16-13-7-5-12(9-15)6-8-13/h5-9H,10-11H2,1-4H3
InChIKeyATKCBEXNANTWTA-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.23
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

4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde
CID 159703076
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
CID 92914884
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
(4-formylphenoxy)methyl-trimethylazanium
CID 102084836
4-(2,2,3-trimethylbutoxy)benzaldehyde
CID 166913587
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-[(3-methyloxiran-2-yl)methoxy]benzaldehyde
CID 102230361
cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
CID 23291684
4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
CID 139898299

Frequently Asked Questions

What is the IUPAC name of 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde (CID 140721041) is 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde is CN(C)C[Si](C)(C)COc1ccc(C=O)cc1.
What is the InChIKey of 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde?
The InChIKey is ATKCBEXNANTWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2Si/c1-14(2)10-17(3,4)11-16-13-7-5-12(9-15)6-8-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde?
4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde has a molecular weight of 251.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde is sourced from PubChem (CID 140721041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).