tert-butyl (2R)-2-chloro-2-trimethylsilylacetate

C9H19ClO2Si — CID 124630222

IUPACtert-butyl (2R)-2-chloro-2-trimethylsilylacetate
SMILESCC(C)(C)OC(=O)[C@@H](Cl)[Si](C)(C)C
InChIInChI=1S/C9H19ClO2Si/c1-9(2,3)12-8(11)7(10)13(4,5)6/h7H,1-6H3/t7-/m0/s1
InChIKeyREVBFXGFKCMPSR-ZETCQYMHSA-N
MW222.79 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl (2R)-2-chloro-2-trimethylsilylacetate

tert-butyl (2R)-2-chloro-2-trimethylsilylacetate (PubChem CID 124630222) has the molecular formula C9H19ClO2Si and a molecular weight of 222.79 g/mol. Its IUPAC name is tert-butyl (2R)-2-chloro-2-trimethylsilylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-chloro-2-trimethylsilylacetate
PubChem CID124630222
Molecular FormulaC9H19ClO2Si
Molecular Weight222.79 g/mol
Exact Mass222.08
IUPAC Nametert-butyl (2R)-2-chloro-2-trimethylsilylacetate
SMILESCC(C)(C)OC(=O)[C@@H](Cl)[Si](C)(C)C
InChIInChI=1S/C9H19ClO2Si/c1-9(2,3)12-8(11)7(10)13(4,5)6/h7H,1-6H3/t7-/m0/s1
InChIKeyREVBFXGFKCMPSR-ZETCQYMHSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.79
LogP ≤ 52.81
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 (2R)-2-chloro-2-trimethylsilylacetate?
The IUPAC name of tert-butyl (2R)-2-chloro-2-trimethylsilylacetate (CID 124630222) is tert-butyl (2R)-2-chloro-2-trimethylsilylacetate.
What is the SMILES notation for tert-butyl (2R)-2-chloro-2-trimethylsilylacetate?
The canonical SMILES for tert-butyl (2R)-2-chloro-2-trimethylsilylacetate is CC(C)(C)OC(=O)[C@@H](Cl)[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-chloro-2-trimethylsilylacetate?
The InChIKey is REVBFXGFKCMPSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19ClO2Si/c1-9(2,3)12-8(11)7(10)13(4,5)6/h7H,1-6H3/t7-/m0/s1.
What are the key properties of tert-butyl (2R)-2-chloro-2-trimethylsilylacetate?
tert-butyl (2R)-2-chloro-2-trimethylsilylacetate has a molecular weight of 222.79 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-chloro-2-trimethylsilylacetate is sourced from PubChem (CID 124630222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).