benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate

C25H34O5Si — CID 67706731

IUPACbenzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OCOC(=O)c2ccccc2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H34O5Si/c1-24(2,3)20-16-19(14-15-21(20)30-31(7,8)25(4,5)6)23(27)29-17-28-22(26)18-12-10-9-11-13-18/h9-16H,17H2,1-8H3
InChIKeyNGPBIOWFXYCEDH-UHFFFAOYSA-N
MW442.63 g/mol
LogP6.34
Rot. Bonds6

About benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate

benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate (PubChem CID 67706731) has the molecular formula C25H34O5Si and a molecular weight of 442.63 g/mol. Its IUPAC name is benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate.

Molecular Properties

Compound Namebenzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate
PubChem CID67706731
Molecular FormulaC25H34O5Si
Molecular Weight442.63 g/mol
Exact Mass442.22
IUPAC Namebenzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OCOC(=O)c2ccccc2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H34O5Si/c1-24(2,3)20-16-19(14-15-21(20)30-31(7,8)25(4,5)6)23(27)29-17-28-22(26)18-12-10-9-11-13-18/h9-16H,17H2,1-8H3
InChIKeyNGPBIOWFXYCEDH-UHFFFAOYSA-N
XLogP6.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The IUPAC name of benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate (CID 67706731) is benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate.
What is the SMILES notation for benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The canonical SMILES for benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate is CC(C)(C)c1cc(C(=O)OCOC(=O)c2ccccc2)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate?
The InChIKey is NGPBIOWFXYCEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O5Si/c1-24(2,3)20-16-19(14-15-21(20)30-31(7,8)25(4,5)6)23(27)29-17-28-22(26)18-12-10-9-11-13-18/h9-16H,17H2,1-8H3.
What are the key properties of benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate?
benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate has a molecular weight of 442.63 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate is sourced from PubChem (CID 67706731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).