tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate

C11H20O5 — CID 91313356

IUPACtert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate
SMILESCCOC(C(C)=O)C(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O5/c1-6-15-9(7(2)12)8(13)10(14)16-11(3,4)5/h8-9,13H,6H2,1-5H3
InChIKeyQAFJAXXAHHDGQH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.68
Rot. Bonds5

About tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate

tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate (PubChem CID 91313356) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate
PubChem CID91313356
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nametert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate
SMILESCCOC(C(C)=O)C(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O5/c1-6-15-9(7(2)12)8(13)10(14)16-11(3,4)5/h8-9,13H,6H2,1-5H3
InChIKeyQAFJAXXAHHDGQH-UHFFFAOYSA-N
XLogP0.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate?
The IUPAC name of tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate (CID 91313356) is tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate.
What is the SMILES notation for tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate?
The canonical SMILES for tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate is CCOC(C(C)=O)C(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate?
The InChIKey is QAFJAXXAHHDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-6-15-9(7(2)12)8(13)10(14)16-11(3,4)5/h8-9,13H,6H2,1-5H3.
What are the key properties of tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate?
tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate has a molecular weight of 232.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethoxy-2-hydroxy-4-oxopentanoate is sourced from PubChem (CID 91313356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).