tert-butyl 2-(2-methoxyethoxy)acetate

C9H18O4 — CID 59397441

IUPACtert-butyl 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C9H18O4/c1-9(2,3)13-8(10)7-12-6-5-11-4/h5-7H2,1-4H3
InChIKeyXNSQTHRBDVRDJV-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds5

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

tert-butyl 2-(2-methoxyethoxy)acetate (PubChem CID 59397441) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxyethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxyethoxy)acetate
PubChem CID59397441
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nametert-butyl 2-(2-methoxyethoxy)acetate
SMILESCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C9H18O4/c1-9(2,3)13-8(10)7-12-6-5-11-4/h5-7H2,1-4H3
InChIKeyXNSQTHRBDVRDJV-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxyethoxy)acetate?
The IUPAC name of tert-butyl 2-(2-methoxyethoxy)acetate (CID 59397441) is tert-butyl 2-(2-methoxyethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(2-methoxyethoxy)acetate?
The canonical SMILES for tert-butyl 2-(2-methoxyethoxy)acetate is COCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxyethoxy)acetate?
The InChIKey is XNSQTHRBDVRDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(2,3)13-8(10)7-12-6-5-11-4/h5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methoxyethoxy)acetate?
tert-butyl 2-(2-methoxyethoxy)acetate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 59397441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).