4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone

C9H12O2Se3 — CID 11760917

IUPAC4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone
SMILES[Se]=c1[se]cc(COC2CCCCO2)[se]1
InChIInChI=1S/C9H12O2Se3/c12-9-13-6-7(14-9)5-11-8-3-1-2-4-10-8/h6,8H,1-5H2
InChIKeyUFQYKHHRZQMHBV-UHFFFAOYSA-N
MW389.07 g/mol
LogP0.54
Rot. Bonds3

About 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone

4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone (PubChem CID 11760917) has the molecular formula C9H12O2Se3 and a molecular weight of 389.07 g/mol. Its IUPAC name is 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone.

Molecular Properties

Compound Name4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone
PubChem CID11760917
Molecular FormulaC9H12O2Se3
Molecular Weight389.07 g/mol
Exact Mass391.83
IUPAC Name4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone
SMILES[Se]=c1[se]cc(COC2CCCCO2)[se]1
InChIInChI=1S/C9H12O2Se3/c12-9-13-6-7(14-9)5-11-8-3-1-2-4-10-8/h6,8H,1-5H2
InChIKeyUFQYKHHRZQMHBV-UHFFFAOYSA-N
XLogP0.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.07
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone 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 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone?
The IUPAC name of 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone (CID 11760917) is 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone.
What is the SMILES notation for 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone?
The canonical SMILES for 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone is [Se]=c1[se]cc(COC2CCCCO2)[se]1.
What is the InChIKey of 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone?
The InChIKey is UFQYKHHRZQMHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2Se3/c12-9-13-6-7(14-9)5-11-8-3-1-2-4-10-8/h6,8H,1-5H2.
What are the key properties of 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone?
4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone has a molecular weight of 389.07 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxymethyl)-1,3-diselenole-2-selone is sourced from PubChem (CID 11760917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).