2-oxopropyl propanoate

C6H10O3 — CID 3085860

IUPAC2-oxopropyl propanoate
SMILESCCC(=O)OCC(C)=O
InChIInChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3-4H2,1-2H3
InChIKeyQCSKTFWPHGNBOR-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.53
Rot. Bonds3

About 2-oxopropyl propanoate

2-oxopropyl propanoate (PubChem CID 3085860) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-oxopropyl propanoate.

Molecular Properties

Compound Name2-oxopropyl propanoate
PubChem CID3085860
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-oxopropyl propanoate
SMILESCCC(=O)OCC(C)=O
InChIInChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3-4H2,1-2H3
InChIKeyQCSKTFWPHGNBOR-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl propanoate?
The IUPAC name of 2-oxopropyl propanoate (CID 3085860) is 2-oxopropyl propanoate.
What is the SMILES notation for 2-oxopropyl propanoate?
The canonical SMILES for 2-oxopropyl propanoate is CCC(=O)OCC(C)=O.
What is the InChIKey of 2-oxopropyl propanoate?
The InChIKey is QCSKTFWPHGNBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3-4H2,1-2H3.
What are the key properties of 2-oxopropyl propanoate?
2-oxopropyl propanoate has a molecular weight of 130.14 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl propanoate is sourced from PubChem (CID 3085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).