tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate

C18H30O3Si — CID 12018888

IUPACtert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H30O3Si/c1-17(2,3)21-16(19)15-11-9-14(10-12-15)13-20-22(7,8)18(4,5)6/h9-12H,13H2,1-8H3
InChIKeyIAIDKWHKUWOVKN-UHFFFAOYSA-N
MW322.52 g/mol
LogP5.16
Rot. Bonds4

About tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate

tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate (PubChem CID 12018888) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
PubChem CID12018888
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H30O3Si/c1-17(2,3)21-16(19)15-11-9-14(10-12-15)13-20-22(7,8)18(4,5)6/h9-12H,13H2,1-8H3
InChIKeyIAIDKWHKUWOVKN-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.16
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The IUPAC name of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate (CID 12018888) is tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate.
What is the SMILES notation for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The canonical SMILES for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate is CC(C)(C)OC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
The InChIKey is IAIDKWHKUWOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-17(2,3)21-16(19)15-11-9-14(10-12-15)13-20-22(7,8)18(4,5)6/h9-12H,13H2,1-8H3.
What are the key properties of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate?
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate has a molecular weight of 322.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate is sourced from PubChem (CID 12018888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).