(3-methoxy-2-oxopropyl) acetate

C6H10O4 — CID 59167143

IUPAC(3-methoxy-2-oxopropyl) acetate
SMILESCOCC(=O)COC(C)=O
InChIInChI=1S/C6H10O4/c1-5(7)10-4-6(8)3-9-2/h3-4H2,1-2H3
InChIKeyAZSJNKDEHJMIPZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.23
Rot. Bonds4

About (3-methoxy-2-oxopropyl) acetate

(3-methoxy-2-oxopropyl) acetate (PubChem CID 59167143) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3-methoxy-2-oxopropyl) acetate.

Molecular Properties

Compound Name(3-methoxy-2-oxopropyl) acetate
PubChem CID59167143
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3-methoxy-2-oxopropyl) acetate
SMILESCOCC(=O)COC(C)=O
InChIInChI=1S/C6H10O4/c1-5(7)10-4-6(8)3-9-2/h3-4H2,1-2H3
InChIKeyAZSJNKDEHJMIPZ-UHFFFAOYSA-N
XLogP-0.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-2-oxopropyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-oxopropyl) acetate?
The IUPAC name of (3-methoxy-2-oxopropyl) acetate (CID 59167143) is (3-methoxy-2-oxopropyl) acetate.
What is the SMILES notation for (3-methoxy-2-oxopropyl) acetate?
The canonical SMILES for (3-methoxy-2-oxopropyl) acetate is COCC(=O)COC(C)=O.
What is the InChIKey of (3-methoxy-2-oxopropyl) acetate?
The InChIKey is AZSJNKDEHJMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-5(7)10-4-6(8)3-9-2/h3-4H2,1-2H3.
What are the key properties of (3-methoxy-2-oxopropyl) acetate?
(3-methoxy-2-oxopropyl) acetate has a molecular weight of 146.14 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-oxopropyl) acetate is sourced from PubChem (CID 59167143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).