2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde

C16H26O4Si — CID 11461073

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
SMILESCOc1cc(OC)c(CC=O)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-15-11-12(18-4)10-14(19-5)13(15)8-9-17/h9-11H,8H2,1-7H3
InChIKeyYKLHIFXVPKLVFO-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.83
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde

2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde (PubChem CID 11461073) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
PubChem CID11461073
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde
SMILESCOc1cc(OC)c(CC=O)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-15-11-12(18-4)10-14(19-5)13(15)8-9-17/h9-11H,8H2,1-7H3
InChIKeyYKLHIFXVPKLVFO-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.83
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

tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
CID 174074491
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
2-(4-amino-2,6-dimethoxyphenyl)acetaldehyde
CID 19736742
(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 167724287
[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol
CID 12982392
2-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-1-oxo-2-(2-phenylethyl)-3H-isoindol-5-yl]acetaldehyde
CID 174040499
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde (CID 11461073) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde is COc1cc(OC)c(CC=O)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde?
The InChIKey is YKLHIFXVPKLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-15-11-12(18-4)10-14(19-5)13(15)8-9-17/h9-11H,8H2,1-7H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde?
2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde has a molecular weight of 310.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxyphenyl]acetaldehyde is sourced from PubChem (CID 11461073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).