1,3-dioxetan-2-one

C2H2O3 — CID 10964397

IUPAC1,3-dioxetan-2-one
SMILESO=C1OCO1
InChIInChI=1S/C2H2O3/c3-2-4-1-5-2/h1H2
InChIKeyZVYSYCLZXICWLH-UHFFFAOYSA-N
MW74.03 g/mol
LogP0.11
Rot. Bonds

About 1,3-dioxetan-2-one

1,3-dioxetan-2-one (PubChem CID 10964397) has the molecular formula C2H2O3 and a molecular weight of 74.03 g/mol. Its IUPAC name is 1,3-dioxetan-2-one.

Molecular Properties

Compound Name1,3-dioxetan-2-one
PubChem CID10964397
Molecular FormulaC2H2O3
Molecular Weight74.03 g/mol
Exact Mass74.00
IUPAC Name1,3-dioxetan-2-one
SMILESO=C1OCO1
InChIInChI=1S/C2H2O3/c3-2-4-1-5-2/h1H2
InChIKeyZVYSYCLZXICWLH-UHFFFAOYSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.03
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxetan-2-one?
The IUPAC name of 1,3-dioxetan-2-one (CID 10964397) is 1,3-dioxetan-2-one.
What is the SMILES notation for 1,3-dioxetan-2-one?
The canonical SMILES for 1,3-dioxetan-2-one is O=C1OCO1.
What is the InChIKey of 1,3-dioxetan-2-one?
The InChIKey is ZVYSYCLZXICWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3/c3-2-4-1-5-2/h1H2.
What are the key properties of 1,3-dioxetan-2-one?
1,3-dioxetan-2-one has a molecular weight of 74.03 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxetan-2-one is sourced from PubChem (CID 10964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).