[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate

C20H36O3Si2 — CID 553843

IUPAC[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)15-18(21)23-25(9,10)20(4,5)6/h11-14H,15H2,1-10H3
InChIKeyHJZFFIMAYZZMSC-UHFFFAOYSA-N
MW380.68 g/mol
LogP6.16
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate

[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate (PubChem CID 553843) has the molecular formula C20H36O3Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate
PubChem CID553843
Molecular FormulaC20H36O3Si2
Molecular Weight380.68 g/mol
Exact Mass380.22
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)15-18(21)23-25(9,10)20(4,5)6/h11-14H,15H2,1-10H3
InChIKeyHJZFFIMAYZZMSC-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate (CID 553843) is [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate is CC(C)(C)[Si](C)(C)OC(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate?
The InChIKey is HJZFFIMAYZZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17-13-11-16(12-14-17)15-18(21)23-25(9,10)20(4,5)6/h11-14H,15H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate?
[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate has a molecular weight of 380.68 g/mol, XLogP of 6.16, 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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetate is sourced from PubChem (CID 553843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).