ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate

C11H20O5 — CID 91699126

IUPACethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCC(C)CC
InChIInChI=1S/C11H20O5/c1-4-9(3)6-16-11(13)8-14-7-10(12)15-5-2/h9H,4-8H2,1-3H3
InChIKeySZUJRZCHXURIKA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.16
Rot. Bonds8

About ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate

ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate (PubChem CID 91699126) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate
PubChem CID91699126
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate
SMILESCCOC(=O)COCC(=O)OCC(C)CC
InChIInChI=1S/C11H20O5/c1-4-9(3)6-16-11(13)8-14-7-10(12)15-5-2/h9H,4-8H2,1-3H3
InChIKeySZUJRZCHXURIKA-UHFFFAOYSA-N
XLogP1.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate (CID 91699126) is ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate is CCOC(=O)COCC(=O)OCC(C)CC.
What is the InChIKey of ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate?
The InChIKey is SZUJRZCHXURIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-9(3)6-16-11(13)8-14-7-10(12)15-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate?
ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate has a molecular weight of 232.28 g/mol, XLogP of 1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91699126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).