tert-butyl 2-(2,2-dimethylpropoxy)acetate

C11H22O3 — CID 158641779

IUPACtert-butyl 2-(2,2-dimethylpropoxy)acetate
SMILESCC(C)(C)COCC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8-13-7-9(12)14-11(4,5)6/h7-8H2,1-6H3
InChIKeyWYEKOWJHRXLZAQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl 2-(2,2-dimethylpropoxy)acetate

tert-butyl 2-(2,2-dimethylpropoxy)acetate (PubChem CID 158641779) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylpropoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylpropoxy)acetate
PubChem CID158641779
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nametert-butyl 2-(2,2-dimethylpropoxy)acetate
SMILESCC(C)(C)COCC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8-13-7-9(12)14-11(4,5)6/h7-8H2,1-6H3
InChIKeyWYEKOWJHRXLZAQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylpropoxy)acetate?
The IUPAC name of tert-butyl 2-(2,2-dimethylpropoxy)acetate (CID 158641779) is tert-butyl 2-(2,2-dimethylpropoxy)acetate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylpropoxy)acetate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylpropoxy)acetate is CC(C)(C)COCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2-dimethylpropoxy)acetate?
The InChIKey is WYEKOWJHRXLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)8-13-7-9(12)14-11(4,5)6/h7-8H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2-dimethylpropoxy)acetate?
tert-butyl 2-(2,2-dimethylpropoxy)acetate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylpropoxy)acetate is sourced from PubChem (CID 158641779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).