4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde

C14H22O2Si — CID 123494845

IUPAC4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde
SMILESC[SiH](C)C(C)(C)COCc1ccc(C=O)cc1
InChIInChI=1S/C14H22O2Si/c1-14(2,17(3)4)11-16-10-13-7-5-12(9-15)6-8-13/h5-9,17H,10-11H2,1-4H3
InChIKeyLHUNXZRZBQKNTP-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.28
Rot. Bonds6

About 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde

4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde (PubChem CID 123494845) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde
PubChem CID123494845
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde
SMILESC[SiH](C)C(C)(C)COCc1ccc(C=O)cc1
InChIInChI=1S/C14H22O2Si/c1-14(2,17(3)4)11-16-10-13-7-5-12(9-15)6-8-13/h5-9,17H,10-11H2,1-4H3
InChIKeyLHUNXZRZBQKNTP-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
4-[2-[bis[2-[(4-formylphenyl)methoxy]ethyl]amino]ethoxymethyl]benzaldehyde
CID 71489124
4-(9-oxononoxymethyl)benzaldehyde
CID 10754947
4-(phosphorosooxymethyl)benzaldehyde
CID 153444491
4-(2-hydroxy-2-methylpropyl)benzaldehyde
CID 105437566
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
7-(ethoxymethyl)naphthalene-2-carbaldehyde
CID 87484194
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484

Frequently Asked Questions

What is the IUPAC name of 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde?
The IUPAC name of 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde (CID 123494845) is 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde.
What is the SMILES notation for 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde?
The canonical SMILES for 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde is C[SiH](C)C(C)(C)COCc1ccc(C=O)cc1.
What is the InChIKey of 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde?
The InChIKey is LHUNXZRZBQKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,17(3)4)11-16-10-13-7-5-12(9-15)6-8-13/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde?
4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde has a molecular weight of 250.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-dimethylsilyl-2-methylpropoxy)methyl]benzaldehyde is sourced from PubChem (CID 123494845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).