1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone

C16H26O4Si — CID 22025593

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O4Si/c1-11(17)12-9-13(18-5)15(14(10-12)19-6)20-21(7,8)16(2,3)4/h9-10H,1-8H3
InChIKeyBYHPPQHBKZHBCP-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.29
Rot. Bonds5

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone

1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone (PubChem CID 22025593) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
PubChem CID22025593
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O4Si/c1-11(17)12-9-13(18-5)15(14(10-12)19-6)20-21(7,8)16(2,3)4/h9-10H,1-8H3
InChIKeyBYHPPQHBKZHBCP-UHFFFAOYSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
1-[6-acetyl-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]phenanthren-3-yl]ethanone
CID 10602113
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
1-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]ethanone
CID 117353223
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone
CID 167722886
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone (CID 22025593) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone is COc1cc(C(C)=O)cc(OC)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone?
The InChIKey is BYHPPQHBKZHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-11(17)12-9-13(18-5)15(14(10-12)19-6)20-21(7,8)16(2,3)4/h9-10H,1-8H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone?
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone has a molecular weight of 310.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone is sourced from PubChem (CID 22025593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).