[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate

C20H36O3Si2 — CID 528583

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17(16-14-12-11-13-15-16)18(21)23-25(9,10)20(4,5)6/h11-15,17H,1-10H3
InChIKeyFNVJWYFVHSEHFW-UHFFFAOYSA-N
MW380.68 g/mol
LogP6.30
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate (PubChem CID 528583) has the molecular formula C20H36O3Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
PubChem CID528583
Molecular FormulaC20H36O3Si2
Molecular Weight380.68 g/mol
Exact Mass380.22
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17(16-14-12-11-13-15-16)18(21)23-25(9,10)20(4,5)6/h11-15,17H,1-10H3
InChIKeyFNVJWYFVHSEHFW-UHFFFAOYSA-N
XLogP6.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate 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 [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate (CID 528583) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate is CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The InChIKey is FNVJWYFVHSEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17(16-14-12-11-13-15-16)18(21)23-25(9,10)20(4,5)6/h11-15,17H,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate has a molecular weight of 380.68 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate is sourced from PubChem (CID 528583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).