2-(2-ethoxyethoxy)ethyl 3-methylbutanoate

C11H22O4 — CID 91696182

IUPAC2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
SMILESCCOCCOCCOC(=O)CC(C)C
InChIInChI=1S/C11H22O4/c1-4-13-5-6-14-7-8-15-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyOTSJNYIUJBISKD-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.63
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate

2-(2-ethoxyethoxy)ethyl 3-methylbutanoate (PubChem CID 91696182) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
PubChem CID91696182
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
SMILESCCOCCOCCOC(=O)CC(C)C
InChIInChI=1S/C11H22O4/c1-4-13-5-6-14-7-8-15-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyOTSJNYIUJBISKD-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.63
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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Related Compounds

2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate
CID 101278961
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate (CID 91696182) is 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate is CCOCCOCCOC(=O)CC(C)C.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate?
The InChIKey is OTSJNYIUJBISKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-13-5-6-14-7-8-15-11(12)9-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate?
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate has a molecular weight of 218.29 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 3-methylbutanoate is sourced from PubChem (CID 91696182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).