5-hydroperoxy-5-methyl-2H-furan

C5H8O3 — CID 14866912

IUPAC5-hydroperoxy-5-methyl-2H-furan
SMILESCC1(OO)C=CCO1
InChIInChI=1S/C5H8O3/c1-5(8-6)3-2-4-7-5/h2-3,6H,4H2,1H3
InChIKeySXEURBJRCJJFPA-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.78
Rot. Bonds1

About 5-hydroperoxy-5-methyl-2H-furan

5-hydroperoxy-5-methyl-2H-furan (PubChem CID 14866912) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 5-hydroperoxy-5-methyl-2H-furan.

Molecular Properties

Compound Name5-hydroperoxy-5-methyl-2H-furan
PubChem CID14866912
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name5-hydroperoxy-5-methyl-2H-furan
SMILESCC1(OO)C=CCO1
InChIInChI=1S/C5H8O3/c1-5(8-6)3-2-4-7-5/h2-3,6H,4H2,1H3
InChIKeySXEURBJRCJJFPA-UHFFFAOYSA-N
XLogP0.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroperoxy-5-methyl-2H-furan 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 5-hydroperoxy-5-methyl-2H-furan?
The IUPAC name of 5-hydroperoxy-5-methyl-2H-furan (CID 14866912) is 5-hydroperoxy-5-methyl-2H-furan.
What is the SMILES notation for 5-hydroperoxy-5-methyl-2H-furan?
The canonical SMILES for 5-hydroperoxy-5-methyl-2H-furan is CC1(OO)C=CCO1.
What is the InChIKey of 5-hydroperoxy-5-methyl-2H-furan?
The InChIKey is SXEURBJRCJJFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-5(8-6)3-2-4-7-5/h2-3,6H,4H2,1H3.
What are the key properties of 5-hydroperoxy-5-methyl-2H-furan?
5-hydroperoxy-5-methyl-2H-furan has a molecular weight of 116.12 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroperoxy-5-methyl-2H-furan is sourced from PubChem (CID 14866912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).