ethyl 2-(2-methylbutan-2-yloxy)acetate

C9H18O3 — CID 28994560

IUPACethyl 2-(2-methylbutan-2-yloxy)acetate
SMILESCCOC(=O)COC(C)(C)CC
InChIInChI=1S/C9H18O3/c1-5-9(3,4)12-7-8(10)11-6-2/h5-7H2,1-4H3
InChIKeyTUSJPVJPSWNUOC-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.75
Rot. Bonds5

About ethyl 2-(2-methylbutan-2-yloxy)acetate

ethyl 2-(2-methylbutan-2-yloxy)acetate (PubChem CID 28994560) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 2-(2-methylbutan-2-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylbutan-2-yloxy)acetate
PubChem CID28994560
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethyl 2-(2-methylbutan-2-yloxy)acetate
SMILESCCOC(=O)COC(C)(C)CC
InChIInChI=1S/C9H18O3/c1-5-9(3,4)12-7-8(10)11-6-2/h5-7H2,1-4H3
InChIKeyTUSJPVJPSWNUOC-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylbutan-2-yloxy)acetate?
The IUPAC name of ethyl 2-(2-methylbutan-2-yloxy)acetate (CID 28994560) is ethyl 2-(2-methylbutan-2-yloxy)acetate.
What is the SMILES notation for ethyl 2-(2-methylbutan-2-yloxy)acetate?
The canonical SMILES for ethyl 2-(2-methylbutan-2-yloxy)acetate is CCOC(=O)COC(C)(C)CC.
What is the InChIKey of ethyl 2-(2-methylbutan-2-yloxy)acetate?
The InChIKey is TUSJPVJPSWNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-9(3,4)12-7-8(10)11-6-2/h5-7H2,1-4H3.
What are the key properties of ethyl 2-(2-methylbutan-2-yloxy)acetate?
ethyl 2-(2-methylbutan-2-yloxy)acetate has a molecular weight of 174.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylbutan-2-yloxy)acetate is sourced from PubChem (CID 28994560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).