[tert-butyl(dimethyl)silyl] benzoate

C13H20O2Si — CID 522592

IUPAC[tert-butyl(dimethyl)silyl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyGPSVOHKZRIFVOF-UHFFFAOYSA-N
MW236.39 g/mol
LogP3.85
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] benzoate

[tert-butyl(dimethyl)silyl] benzoate (PubChem CID 522592) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] benzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] benzoate
PubChem CID522592
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name[tert-butyl(dimethyl)silyl] benzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyGPSVOHKZRIFVOF-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic Acid
CID 243
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Methyl Benzoate
CID 7150
Butyl Benzoate
CID 8698
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
tert-Butyl peroxybenzoate
CID 11966
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] benzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] benzoate (CID 522592) is [tert-butyl(dimethyl)silyl] benzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] benzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] benzoate is CC(C)(C)[Si](C)(C)OC(=O)c1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] benzoate?
The InChIKey is GPSVOHKZRIFVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h6-10H,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] benzoate?
[tert-butyl(dimethyl)silyl] benzoate has a molecular weight of 236.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] benzoate is sourced from PubChem (CID 522592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).