2-ethoxy-2-ethylbutanoic acid

C8H16O3 — CID 18988574

IUPAC2-ethoxy-2-ethylbutanoic acid
SMILESCCOC(CC)(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(5-2,7(9)10)11-6-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyQCQOXYHMOIBJCD-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.67
Rot. Bonds5

About 2-ethoxy-2-ethylbutanoic acid

2-ethoxy-2-ethylbutanoic acid (PubChem CID 18988574) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethoxy-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-ethylbutanoic acid
PubChem CID18988574
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethoxy-2-ethylbutanoic acid
SMILESCCOC(CC)(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(5-2,7(9)10)11-6-3/h4-6H2,1-3H3,(H,9,10)
InChIKeyQCQOXYHMOIBJCD-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethylbutanoic acid?
The IUPAC name of 2-ethoxy-2-ethylbutanoic acid (CID 18988574) is 2-ethoxy-2-ethylbutanoic acid.
What is the SMILES notation for 2-ethoxy-2-ethylbutanoic acid?
The canonical SMILES for 2-ethoxy-2-ethylbutanoic acid is CCOC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-ethylbutanoic acid?
The InChIKey is QCQOXYHMOIBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(5-2,7(9)10)11-6-3/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-ethoxy-2-ethylbutanoic acid?
2-ethoxy-2-ethylbutanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethylbutanoic acid is sourced from PubChem (CID 18988574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).