2-acetyloxybutanoic acid

C6H10O4 — CID 13327294

IUPAC2-acetyloxybutanoic acid
SMILESCCC(OC(C)=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyGELZYBXBKFHYEN-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.41
Rot. Bonds3

About 2-acetyloxybutanoic acid

2-acetyloxybutanoic acid (PubChem CID 13327294) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-acetyloxybutanoic acid.

Molecular Properties

Compound Name2-acetyloxybutanoic acid
PubChem CID13327294
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-acetyloxybutanoic acid
SMILESCCC(OC(C)=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyGELZYBXBKFHYEN-UHFFFAOYSA-N
XLogP0.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
2-acetyloxybutanedioic acid;ethane
CID 90962940
(2R)-2-acetyloxypentanedioic acid
CID 150835341
1,1,2-trichloropent-1-en-3-yl acetate
CID 88729244
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
(E)-4-acetyloxy-2-hydroxyhex-2-ene-3-diazonium
CID 11816264
propyl 2-acetyloxybutanoate
CID 141161519
(2S)-2-acetyloxy-3-cyanopropanoic acid
CID 148549331
2-acetyloxy-5,5-dimethylhexanoic acid
CID 174761452
(3-acetyloxy-3-carboxypropyl)-trimethylazanium
CID 174238274

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxybutanoic acid?
The IUPAC name of 2-acetyloxybutanoic acid (CID 13327294) is 2-acetyloxybutanoic acid.
What is the SMILES notation for 2-acetyloxybutanoic acid?
The canonical SMILES for 2-acetyloxybutanoic acid is CCC(OC(C)=O)C(=O)O.
What is the InChIKey of 2-acetyloxybutanoic acid?
The InChIKey is GELZYBXBKFHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-acetyloxybutanoic acid?
2-acetyloxybutanoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxybutanoic acid is sourced from PubChem (CID 13327294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).