5-methoxy-4H-1,3-dioxin-2-one

C5H6O4 — CID 89056103

IUPAC5-methoxy-4H-1,3-dioxin-2-one
SMILESCOC1=COC(=O)OC1
InChIInChI=1S/C5H6O4/c1-7-4-2-8-5(6)9-3-4/h2H,3H2,1H3
InChIKeyGHABKZLPIDRTHH-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.64
Rot. Bonds1

About 5-methoxy-4H-1,3-dioxin-2-one

5-methoxy-4H-1,3-dioxin-2-one (PubChem CID 89056103) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 5-methoxy-4H-1,3-dioxin-2-one.

Molecular Properties

Compound Name5-methoxy-4H-1,3-dioxin-2-one
PubChem CID89056103
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name5-methoxy-4H-1,3-dioxin-2-one
SMILESCOC1=COC(=O)OC1
InChIInChI=1S/C5H6O4/c1-7-4-2-8-5(6)9-3-4/h2H,3H2,1H3
InChIKeyGHABKZLPIDRTHH-UHFFFAOYSA-N
XLogP0.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4H-1,3-dioxin-2-one?
The IUPAC name of 5-methoxy-4H-1,3-dioxin-2-one (CID 89056103) is 5-methoxy-4H-1,3-dioxin-2-one.
What is the SMILES notation for 5-methoxy-4H-1,3-dioxin-2-one?
The canonical SMILES for 5-methoxy-4H-1,3-dioxin-2-one is COC1=COC(=O)OC1.
What is the InChIKey of 5-methoxy-4H-1,3-dioxin-2-one?
The InChIKey is GHABKZLPIDRTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-7-4-2-8-5(6)9-3-4/h2H,3H2,1H3.
What are the key properties of 5-methoxy-4H-1,3-dioxin-2-one?
5-methoxy-4H-1,3-dioxin-2-one has a molecular weight of 130.10 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4H-1,3-dioxin-2-one is sourced from PubChem (CID 89056103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).