2-acetyloxyethyl 4-ethoxybutanoate

C10H18O5 — CID 23405564

IUPAC2-acetyloxyethyl 4-ethoxybutanoate
SMILESCCOCCCC(=O)OCCOC(C)=O
InChIInChI=1S/C10H18O5/c1-3-13-6-4-5-10(12)15-8-7-14-9(2)11/h3-8H2,1-2H3
InChIKeyOMPVOGJELSNCQO-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.91
Rot. Bonds8

About 2-acetyloxyethyl 4-ethoxybutanoate

2-acetyloxyethyl 4-ethoxybutanoate (PubChem CID 23405564) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-acetyloxyethyl 4-ethoxybutanoate.

Molecular Properties

Compound Name2-acetyloxyethyl 4-ethoxybutanoate
PubChem CID23405564
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-acetyloxyethyl 4-ethoxybutanoate
SMILESCCOCCCC(=O)OCCOC(C)=O
InChIInChI=1S/C10H18O5/c1-3-13-6-4-5-10(12)15-8-7-14-9(2)11/h3-8H2,1-2H3
InChIKeyOMPVOGJELSNCQO-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.91
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-acetyloxyethyl 4-ethoxybutanoate?
The IUPAC name of 2-acetyloxyethyl 4-ethoxybutanoate (CID 23405564) is 2-acetyloxyethyl 4-ethoxybutanoate.
What is the SMILES notation for 2-acetyloxyethyl 4-ethoxybutanoate?
The canonical SMILES for 2-acetyloxyethyl 4-ethoxybutanoate is CCOCCCC(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl 4-ethoxybutanoate?
The InChIKey is OMPVOGJELSNCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-13-6-4-5-10(12)15-8-7-14-9(2)11/h3-8H2,1-2H3.
What are the key properties of 2-acetyloxyethyl 4-ethoxybutanoate?
2-acetyloxyethyl 4-ethoxybutanoate has a molecular weight of 218.25 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 4-ethoxybutanoate is sourced from PubChem (CID 23405564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).