ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

C11H20O5 — CID 91709862

IUPACethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OCC
InChIInChI=1S/C11H20O5/c1-4-6-9(3)16-11(13)8-14-7-10(12)15-5-2/h9H,4-8H2,1-3H3
InChIKeyYDPUSAMTVQMLNM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds8

About ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate

ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (PubChem CID 91709862) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
PubChem CID91709862
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
SMILESCCCC(C)OC(=O)COCC(=O)OCC
InChIInChI=1S/C11H20O5/c1-4-6-9(3)16-11(13)8-14-7-10(12)15-5-2/h9H,4-8H2,1-3H3
InChIKeyYDPUSAMTVQMLNM-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
undecyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91714814
2-methylpropyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91693507
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
CID 86595203
ethyl 2-butoxyacetate
CID 14419651
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
4-O-(3-methylbutan-2-yl) 1-O-pentan-2-yl butanedioate
CID 91701929
pentan-2-yl tetradecanoate
CID 18676710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The IUPAC name of ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate (CID 91709862) is ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The canonical SMILES for ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is CCCC(C)OC(=O)COCC(=O)OCC.
What is the InChIKey of ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate?
The InChIKey is YDPUSAMTVQMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-6-9(3)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-oxo-2-pentan-2-yloxyethoxy)acetate?
ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate is sourced from PubChem (CID 91709862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).