tert-butyl 2-(2-oxoethoxy)acetate

C8H14O4 — CID 170899308

IUPACtert-butyl 2-(2-oxoethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC=O
InChIInChI=1S/C8H14O4/c1-8(2,3)12-7(10)6-11-5-4-9/h4H,5-6H2,1-3H3
InChIKeyXUSYINFMKZNSRQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.54
Rot. Bonds4

About tert-butyl 2-(2-oxoethoxy)acetate

tert-butyl 2-(2-oxoethoxy)acetate (PubChem CID 170899308) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is tert-butyl 2-(2-oxoethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxoethoxy)acetate
PubChem CID170899308
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nametert-butyl 2-(2-oxoethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC=O
InChIInChI=1S/C8H14O4/c1-8(2,3)12-7(10)6-11-5-4-9/h4H,5-6H2,1-3H3
InChIKeyXUSYINFMKZNSRQ-UHFFFAOYSA-N
XLogP0.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(2-oxoethoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
CID 90134163
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
CID 130424021
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
benzene;tert-butyl 2-ethoxyacetate
CID 174357524
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
[2-methyl-1-(2-oxoethoxy)propan-2-yl] propanoate
CID 172549868
2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 171573311
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxoethoxy)acetate?
The IUPAC name of tert-butyl 2-(2-oxoethoxy)acetate (CID 170899308) is tert-butyl 2-(2-oxoethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(2-oxoethoxy)acetate?
The canonical SMILES for tert-butyl 2-(2-oxoethoxy)acetate is CC(C)(C)OC(=O)COCC=O.
What is the InChIKey of tert-butyl 2-(2-oxoethoxy)acetate?
The InChIKey is XUSYINFMKZNSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2,3)12-7(10)6-11-5-4-9/h4H,5-6H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxoethoxy)acetate?
tert-butyl 2-(2-oxoethoxy)acetate has a molecular weight of 174.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxoethoxy)acetate is sourced from PubChem (CID 170899308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).