[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate

C22H30O3Si — CID 102575732

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-20-14-11-19(12-15-20)17-24-21(23)16-13-18-9-7-6-8-10-18/h6-12,14-15H,13,16-17H2,1-5H3
InChIKeySBXCKZOMPMDHSX-UHFFFAOYSA-N
MW370.57 g/mol
LogP5.75
Rot. Bonds7

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate (PubChem CID 102575732) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
PubChem CID102575732
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-20-14-11-19(12-15-20)17-24-21(23)16-13-18-9-7-6-8-10-18/h6-12,14-15H,13,16-17H2,1-5H3
InChIKeySBXCKZOMPMDHSX-UHFFFAOYSA-N
XLogP5.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.75
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

(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
azane;benzyl 3-phenylpropanoate
CID 175136325
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
CID 89451937
benzyl 3-(3-tert-butylphenyl)propanoate
CID 57323126
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl 3-[4-[1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoate
CID 70398626

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate (CID 102575732) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate is CC(C)(C)[Si](C)(C)Oc1ccc(COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate?
The InChIKey is SBXCKZOMPMDHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-20-14-11-19(12-15-20)17-24-21(23)16-13-18-9-7-6-8-10-18/h6-12,14-15H,13,16-17H2,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate has a molecular weight of 370.57 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate is sourced from PubChem (CID 102575732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).