2-oxopentyl acetate

C7H12O3 — CID 14932334

IUPAC2-oxopentyl acetate
SMILESCCCC(=O)COC(C)=O
InChIInChI=1S/C7H12O3/c1-3-4-7(9)5-10-6(2)8/h3-5H2,1-2H3
InChIKeyBASABAYVDBBLTL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.92
Rot. Bonds4

About 2-oxopentyl acetate

2-oxopentyl acetate (PubChem CID 14932334) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-oxopentyl acetate.

Molecular Properties

Compound Name2-oxopentyl acetate
PubChem CID14932334
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-oxopentyl acetate
SMILESCCCC(=O)COC(C)=O
InChIInChI=1S/C7H12O3/c1-3-4-7(9)5-10-6(2)8/h3-5H2,1-2H3
InChIKeyBASABAYVDBBLTL-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxopentyl acetate?
The IUPAC name of 2-oxopentyl acetate (CID 14932334) is 2-oxopentyl acetate.
What is the SMILES notation for 2-oxopentyl acetate?
The canonical SMILES for 2-oxopentyl acetate is CCCC(=O)COC(C)=O.
What is the InChIKey of 2-oxopentyl acetate?
The InChIKey is BASABAYVDBBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-7(9)5-10-6(2)8/h3-5H2,1-2H3.
What are the key properties of 2-oxopentyl acetate?
2-oxopentyl acetate has a molecular weight of 144.17 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentyl acetate is sourced from PubChem (CID 14932334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).