tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate

C11H20O5 — CID 90134163

IUPACtert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCC=O
InChIInChI=1S/C11H20O5/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h5H,4,6-9H2,1-3H3
InChIKeyISLXYZUBNDZYEU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.95
Rot. Bonds8

About tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate

tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate (PubChem CID 90134163) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
PubChem CID90134163
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nametert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCC=O
InChIInChI=1S/C11H20O5/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h5H,4,6-9H2,1-3H3
InChIKeyISLXYZUBNDZYEU-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-oxoethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 165005484
tert-butyl 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoate
CID 156645994
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 102514802
tert-butyl 3-[2-[2-(dimethylamino)ethoxy]ethoxy]propanoate
CID 14833119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate (CID 90134163) is tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCC=O.
What is the InChIKey of tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate?
The InChIKey is ISLXYZUBNDZYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h5H,4,6-9H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate?
tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate has a molecular weight of 232.28 g/mol, XLogP of 0.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate is sourced from PubChem (CID 90134163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).