2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate

C13H26O6 — CID 166662738

IUPAC2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
SMILESCCC(C)(C)OC(=O)COCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-4-13(2,3)19-12(15)11-18-10-9-17-8-7-16-6-5-14/h14H,4-11H2,1-3H3
InChIKeyONNLWDMUMCHMCP-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.76
Rot. Bonds12

About 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate

2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate (PubChem CID 166662738) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
PubChem CID166662738
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
SMILESCCC(C)(C)OC(=O)COCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-4-13(2,3)19-12(15)11-18-10-9-17-8-7-16-6-5-14/h14H,4-11H2,1-3H3
InChIKeyONNLWDMUMCHMCP-UHFFFAOYSA-N
XLogP0.76
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate (CID 166662738) is 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate is CCC(C)(C)OC(=O)COCCOCCOCCO.
What is the InChIKey of 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate?
The InChIKey is ONNLWDMUMCHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-4-13(2,3)19-12(15)11-18-10-9-17-8-7-16-6-5-14/h14H,4-11H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate?
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate has a molecular weight of 278.34 g/mol, XLogP of 0.76, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 166662738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).