4-methoxy-6-(2-oxopropyl)pyran-2-one

C9H10O4 — CID 587664

IUPAC4-methoxy-6-(2-oxopropyl)pyran-2-one
SMILESCOc1cc(CC(C)=O)oc(=O)c1
InChIInChI=1S/C9H10O4/c1-6(10)3-8-4-7(12-2)5-9(11)13-8/h4-5H,3H2,1-2H3
InChIKeyRKGZHABVWGHGFM-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.78
Rot. Bonds3

About 4-methoxy-6-(2-oxopropyl)pyran-2-one

4-methoxy-6-(2-oxopropyl)pyran-2-one (PubChem CID 587664) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-methoxy-6-(2-oxopropyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-(2-oxopropyl)pyran-2-one
PubChem CID587664
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4-methoxy-6-(2-oxopropyl)pyran-2-one
SMILESCOc1cc(CC(C)=O)oc(=O)c1
InChIInChI=1S/C9H10O4/c1-6(10)3-8-4-7(12-2)5-9(11)13-8/h4-5H,3H2,1-2H3
InChIKeyRKGZHABVWGHGFM-UHFFFAOYSA-N
XLogP0.78
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-oxopropyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-(2-oxopropyl)pyran-2-one (CID 587664) is 4-methoxy-6-(2-oxopropyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-(2-oxopropyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-(2-oxopropyl)pyran-2-one is COc1cc(CC(C)=O)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-(2-oxopropyl)pyran-2-one?
The InChIKey is RKGZHABVWGHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-6(10)3-8-4-7(12-2)5-9(11)13-8/h4-5H,3H2,1-2H3.
What are the key properties of 4-methoxy-6-(2-oxopropyl)pyran-2-one?
4-methoxy-6-(2-oxopropyl)pyran-2-one has a molecular weight of 182.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-oxopropyl)pyran-2-one is sourced from PubChem (CID 587664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).