2-(trioxidanyl)-1,3-dioxolane

C3H6O5 — CID 13492419

IUPAC2-(trioxidanyl)-1,3-dioxolane
SMILESOOOC1OCCO1
InChIInChI=1S/C3H6O5/c4-8-7-3-5-1-2-6-3/h3-4H,1-2H2
InChIKeyNCKQWKRATXAILM-UHFFFAOYSA-N
MW122.08 g/mol
LogP-0.26
Rot. Bonds2

About 2-(trioxidanyl)-1,3-dioxolane

2-(trioxidanyl)-1,3-dioxolane (PubChem CID 13492419) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is 2-(trioxidanyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(trioxidanyl)-1,3-dioxolane
PubChem CID13492419
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Name2-(trioxidanyl)-1,3-dioxolane
SMILESOOOC1OCCO1
InChIInChI=1S/C3H6O5/c4-8-7-3-5-1-2-6-3/h3-4H,1-2H2
InChIKeyNCKQWKRATXAILM-UHFFFAOYSA-N
XLogP-0.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trioxidanyl)-1,3-dioxolane?
The IUPAC name of 2-(trioxidanyl)-1,3-dioxolane (CID 13492419) is 2-(trioxidanyl)-1,3-dioxolane.
What is the SMILES notation for 2-(trioxidanyl)-1,3-dioxolane?
The canonical SMILES for 2-(trioxidanyl)-1,3-dioxolane is OOOC1OCCO1.
What is the InChIKey of 2-(trioxidanyl)-1,3-dioxolane?
The InChIKey is NCKQWKRATXAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5/c4-8-7-3-5-1-2-6-3/h3-4H,1-2H2.
What are the key properties of 2-(trioxidanyl)-1,3-dioxolane?
2-(trioxidanyl)-1,3-dioxolane has a molecular weight of 122.08 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trioxidanyl)-1,3-dioxolane is sourced from PubChem (CID 13492419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).