benzyl 4-trimethylsilyloxybenzoate

C17H20O3Si — CID 528810

IUPACbenzyl 4-trimethylsilyloxybenzoate
SMILESC[Si](C)(C)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H20O3Si/c1-21(2,3)20-16-11-9-15(10-12-16)17(18)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyHVEKDTUCYABGMC-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.26
Rot. Bonds5

About benzyl 4-trimethylsilyloxybenzoate

benzyl 4-trimethylsilyloxybenzoate (PubChem CID 528810) has the molecular formula C17H20O3Si and a molecular weight of 300.43 g/mol. Its IUPAC name is benzyl 4-trimethylsilyloxybenzoate.

Molecular Properties

Compound Namebenzyl 4-trimethylsilyloxybenzoate
PubChem CID528810
Molecular FormulaC17H20O3Si
Molecular Weight300.43 g/mol
Exact Mass300.12
IUPAC Namebenzyl 4-trimethylsilyloxybenzoate
SMILESC[Si](C)(C)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H20O3Si/c1-21(2,3)20-16-11-9-15(10-12-16)17(18)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyHVEKDTUCYABGMC-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 4-trimethylsilyloxybenzoate 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

benzyl 4-acetyloxybenzoate
CID 734064
benzyl benzoate
CID 2345
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-propan-2-yloxybenzoate
CID 70079883
benzyl 4-[[2,4,4,6,6-pentakis(4-phenylmethoxycarbonylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzoate
CID 132506763
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
benzyl acetate;benzyl benzoate
CID 158805672
benzyl 4-bromobenzoate
CID 603177
benzyl 4-dimethylboranylbenzoate
CID 58436969

Frequently Asked Questions

What is the IUPAC name of benzyl 4-trimethylsilyloxybenzoate?
The IUPAC name of benzyl 4-trimethylsilyloxybenzoate (CID 528810) is benzyl 4-trimethylsilyloxybenzoate.
What is the SMILES notation for benzyl 4-trimethylsilyloxybenzoate?
The canonical SMILES for benzyl 4-trimethylsilyloxybenzoate is C[Si](C)(C)Oc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-trimethylsilyloxybenzoate?
The InChIKey is HVEKDTUCYABGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3Si/c1-21(2,3)20-16-11-9-15(10-12-16)17(18)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of benzyl 4-trimethylsilyloxybenzoate?
benzyl 4-trimethylsilyloxybenzoate has a molecular weight of 300.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-trimethylsilyloxybenzoate is sourced from PubChem (CID 528810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).