tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate

C10H20O5 — CID 19780618

IUPACtert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCO
InChIInChI=1S/C10H20O5/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h11H,4-8H2,1-3H3
InChIKeyLMDJRQVQNFNFAK-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.35
Rot. Bonds7

About tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate

tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate (PubChem CID 19780618) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
PubChem CID19780618
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nametert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCO
InChIInChI=1S/C10H20O5/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h11H,4-8H2,1-3H3
InChIKeyLMDJRQVQNFNFAK-UHFFFAOYSA-N
XLogP0.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-hydroxyethoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate (CID 19780618) is tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCO.
What is the InChIKey of tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The InChIKey is LMDJRQVQNFNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h11H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate has a molecular weight of 220.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-hydroxyethoxy)ethoxy]acetate is sourced from PubChem (CID 19780618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).