3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate

C21H36O5Si — CID 155766031

IUPAC3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(CCC(=O)OCCC[Si](C)(OC)OC)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H36O5Si/c1-8-17-14-16(15-18(20(17)23)21(2,3)4)10-11-19(22)26-12-9-13-27(7,24-5)25-6/h14-15,23H,8-13H2,1-7H3
InChIKeyAAWRGFYAPBUABT-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.48
Rot. Bonds10

About 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate

3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate (PubChem CID 155766031) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
PubChem CID155766031
Molecular FormulaC21H36O5Si
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC Name3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(CCC(=O)OCCC[Si](C)(OC)OC)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H36O5Si/c1-8-17-14-16(15-18(20(17)23)21(2,3)4)10-11-19(22)26-12-9-13-27(7,24-5)25-6/h14-15,23H,8-13H2,1-7H3
InChIKeyAAWRGFYAPBUABT-UHFFFAOYSA-N
XLogP4.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 118862212
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
hexyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 175394053
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
octadecyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 156861639
3-bromopropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 172554601
3-[[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]propylamino]-2-oxoacetyl]amino]propyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 21318532
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
methyl 3-[3-tert-butyl-5-[5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-methylpentan-2-yl]-4-hydroxyphenyl]propanoate
CID 166737137
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate (CID 155766031) is 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate is CCc1cc(CCC(=O)OCCC[Si](C)(OC)OC)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The InChIKey is AAWRGFYAPBUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-8-17-14-16(15-18(20(17)23)21(2,3)4)10-11-19(22)26-12-9-13-27(7,24-5)25-6/h14-15,23H,8-13H2,1-7H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate has a molecular weight of 396.60 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 155766031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).