[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate

C15H24O3Si — CID 15535714

IUPAC[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-12(16)17-11-13-9-7-8-10-14(13)18-19(5,6)15(2,3)4/h7-10H,11H2,1-6H3
InChIKeyCWEKGBWHANNNIX-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.13
Rot. Bonds4

About [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate

[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate (PubChem CID 15535714) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
PubChem CID15535714
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24O3Si/c1-12(16)17-11-13-9-7-8-10-14(13)18-19(5,6)15(2,3)4/h7-10H,11H2,1-6H3
InChIKeyCWEKGBWHANNNIX-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxyphenyl)methyl acetate
CID 10889107
[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 174567149
4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
CID 67215564
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
CID 167725875
2-(acetyloxymethyl)benzenesulfonic acid
CID 154193734
CID 158889670
CID 158889670
[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
CID 159421207

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate (CID 15535714) is [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate is CC(=O)OCc1ccccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
The InChIKey is CWEKGBWHANNNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-12(16)17-11-13-9-7-8-10-14(13)18-19(5,6)15(2,3)4/h7-10H,11H2,1-6H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate?
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate has a molecular weight of 280.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate is sourced from PubChem (CID 15535714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).