[tert-butyl(dimethyl)silyl] 4-ethylbenzoate

C15H24O2Si — CID 91752604

IUPAC[tert-butyl(dimethyl)silyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O2Si/c1-7-12-8-10-13(11-9-12)14(16)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyITFNSLYHICKEBH-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.41
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 4-ethylbenzoate

[tert-butyl(dimethyl)silyl] 4-ethylbenzoate (PubChem CID 91752604) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-ethylbenzoate
PubChem CID91752604
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name[tert-butyl(dimethyl)silyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O2Si/c1-7-12-8-10-13(11-9-12)14(16)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyITFNSLYHICKEBH-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 4-ethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[tert-butyl(dimethyl)silyl] 4-isocyanobenzoate
CID 88538948
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
[1-(4-ethylbenzoyl)peroxy-2,2-dimethylpropyl] 4-ethylbenzenecarboperoxoate
CID 173266680
4-ethylbenzoic acid;formaldehyde
CID 155718391
propan-2-yl 4-ethylbenzoate
CID 583760
4-ethylbenzoyl iodide
CID 89147367
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696
[3-tert-butyl-4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;ethane
CID 91445499
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylbenzoate
CID 91754010
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-ethylbenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-ethylbenzoate (CID 91752604) is [tert-butyl(dimethyl)silyl] 4-ethylbenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-ethylbenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-ethylbenzoate is CCc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-ethylbenzoate?
The InChIKey is ITFNSLYHICKEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-7-12-8-10-13(11-9-12)14(16)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-ethylbenzoate?
[tert-butyl(dimethyl)silyl] 4-ethylbenzoate has a molecular weight of 264.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-ethylbenzoate is sourced from PubChem (CID 91752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).