2-(2-butanoyloxyethoxy)ethyl butanoate

C12H22O5 — CID 14574537

IUPAC2-(2-butanoyloxyethoxy)ethyl butanoate
SMILESCCCC(=O)OCCOCCOC(=O)CCC
InChIInChI=1S/C12H22O5/c1-3-5-11(13)16-9-7-15-8-10-17-12(14)6-4-2/h3-10H2,1-2H3
InChIKeyWGNKWSUGROGRKR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.69
Rot. Bonds10

About 2-(2-butanoyloxyethoxy)ethyl butanoate

2-(2-butanoyloxyethoxy)ethyl butanoate (PubChem CID 14574537) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(2-butanoyloxyethoxy)ethyl butanoate.

Molecular Properties

Compound Name2-(2-butanoyloxyethoxy)ethyl butanoate
PubChem CID14574537
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-(2-butanoyloxyethoxy)ethyl butanoate
SMILESCCCC(=O)OCCOCCOC(=O)CCC
InChIInChI=1S/C12H22O5/c1-3-5-11(13)16-9-7-15-8-10-17-12(14)6-4-2/h3-10H2,1-2H3
InChIKeyWGNKWSUGROGRKR-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 2-(2-butanoyloxyethoxy)ethyl butanoate?
The IUPAC name of 2-(2-butanoyloxyethoxy)ethyl butanoate (CID 14574537) is 2-(2-butanoyloxyethoxy)ethyl butanoate.
What is the SMILES notation for 2-(2-butanoyloxyethoxy)ethyl butanoate?
The canonical SMILES for 2-(2-butanoyloxyethoxy)ethyl butanoate is CCCC(=O)OCCOCCOC(=O)CCC.
What is the InChIKey of 2-(2-butanoyloxyethoxy)ethyl butanoate?
The InChIKey is WGNKWSUGROGRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-5-11(13)16-9-7-15-8-10-17-12(14)6-4-2/h3-10H2,1-2H3.
What are the key properties of 2-(2-butanoyloxyethoxy)ethyl butanoate?
2-(2-butanoyloxyethoxy)ethyl butanoate has a molecular weight of 246.30 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butanoyloxyethoxy)ethyl butanoate is sourced from PubChem (CID 14574537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).