[tert-butyl(dimethyl)silyl] 2-chloroacetate

C8H17ClO2Si — CID 4279826

IUPAC[tert-butyl(dimethyl)silyl] 2-chloroacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCl
InChIInChI=1S/C8H17ClO2Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H2,1-5H3
InChIKeyRUQHLZVDTNJVOW-UHFFFAOYSA-N
MW208.76 g/mol
LogP2.77
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 2-chloroacetate

[tert-butyl(dimethyl)silyl] 2-chloroacetate (PubChem CID 4279826) has the molecular formula C8H17ClO2Si and a molecular weight of 208.76 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-chloroacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-chloroacetate
PubChem CID4279826
Molecular FormulaC8H17ClO2Si
Molecular Weight208.76 g/mol
Exact Mass208.07
IUPAC Name[tert-butyl(dimethyl)silyl] 2-chloroacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCl
InChIInChI=1S/C8H17ClO2Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H2,1-5H3
InChIKeyRUQHLZVDTNJVOW-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.76
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-chloroacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-chloroacetate (CID 4279826) is [tert-butyl(dimethyl)silyl] 2-chloroacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-chloroacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-chloroacetate is CC(C)(C)[Si](C)(C)OC(=O)CCl.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-chloroacetate?
The InChIKey is RUQHLZVDTNJVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-chloroacetate?
[tert-butyl(dimethyl)silyl] 2-chloroacetate has a molecular weight of 208.76 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-chloroacetate is sourced from PubChem (CID 4279826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).