2-acetyloxy-2-ethylbutanoic acid

C8H14O4 — CID 86250260

IUPAC2-acetyloxy-2-ethylbutanoic acid
SMILESCCC(CC)(OC(C)=O)C(=O)O
InChIInChI=1S/C8H14O4/c1-4-8(5-2,7(10)11)12-6(3)9/h4-5H2,1-3H3,(H,10,11)
InChIKeyZIFFWWNBQJLVFW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.19
Rot. Bonds4

About 2-acetyloxy-2-ethylbutanoic acid

2-acetyloxy-2-ethylbutanoic acid (PubChem CID 86250260) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-acetyloxy-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-acetyloxy-2-ethylbutanoic acid
PubChem CID86250260
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-acetyloxy-2-ethylbutanoic acid
SMILESCCC(CC)(OC(C)=O)C(=O)O
InChIInChI=1S/C8H14O4/c1-4-8(5-2,7(10)11)12-6(3)9/h4-5H2,1-3H3,(H,10,11)
InChIKeyZIFFWWNBQJLVFW-UHFFFAOYSA-N
XLogP1.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-ethylbutanoic acid?
The IUPAC name of 2-acetyloxy-2-ethylbutanoic acid (CID 86250260) is 2-acetyloxy-2-ethylbutanoic acid.
What is the SMILES notation for 2-acetyloxy-2-ethylbutanoic acid?
The canonical SMILES for 2-acetyloxy-2-ethylbutanoic acid is CCC(CC)(OC(C)=O)C(=O)O.
What is the InChIKey of 2-acetyloxy-2-ethylbutanoic acid?
The InChIKey is ZIFFWWNBQJLVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-8(5-2,7(10)11)12-6(3)9/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-acetyloxy-2-ethylbutanoic acid?
2-acetyloxy-2-ethylbutanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-ethylbutanoic acid is sourced from PubChem (CID 86250260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).