3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal

C17H28O4Si — CID 167727510

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
SMILESCOc1cc(CCC=O)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(6,7)21-16-14(19-4)11-13(9-8-10-18)12-15(16)20-5/h10-12H,8-9H2,1-7H3
InChIKeySAJZQPNJWFHDFH-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.22
Rot. Bonds7

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal

3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal (PubChem CID 167727510) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
PubChem CID167727510
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
SMILESCOc1cc(CCC=O)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(6,7)21-16-14(19-4)11-13(9-8-10-18)12-15(16)20-5/h10-12H,8-9H2,1-7H3
InChIKeySAJZQPNJWFHDFH-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
CID 20634491
tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 91342581
3-(3-bromo-4-ethyl-5-methoxyphenyl)propanal
CID 117430397
2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
CID 11461073
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methylphenyl]-2-methylpropanal
CID 158140756
3-[3-methoxy-4-(trifluoromethyl)phenyl]propanal
CID 134621964

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal (CID 167727510) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal is COc1cc(CCC=O)cc(OC)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal?
The InChIKey is SAJZQPNJWFHDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-17(2,3)22(6,7)21-16-14(19-4)11-13(9-8-10-18)12-15(16)20-5/h10-12H,8-9H2,1-7H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal?
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal has a molecular weight of 324.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal is sourced from PubChem (CID 167727510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).