ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate

C15H24O3Si — CID 11289003

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyZJJMIOGRUQQIQZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.25
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate

ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate (PubChem CID 11289003) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
PubChem CID11289003
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyZJJMIOGRUQQIQZ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-(1-bromo-1,2,2,2-tetrafluoroethoxy)benzoate
CID 154730109
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
CID 146163201
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate (CID 11289003) is ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate is CCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The InChIKey is ZJJMIOGRUQQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate has a molecular weight of 280.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate is sourced from PubChem (CID 11289003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).