4-(diethoxymethyl)-1,3-diselenole-2-selone

C8H12O2Se3 — CID 14947646

IUPAC4-(diethoxymethyl)-1,3-diselenole-2-selone
SMILESCCOC(OCC)c1c[se]c(=[Se])[se]1
InChIInChI=1S/C8H12O2Se3/c1-3-9-7(10-4-2)6-5-12-8(11)13-6/h5,7H,3-4H2,1-2H3
InChIKeyYVNHFKCVBYLQTD-UHFFFAOYSA-N
MW377.06 g/mol
LogP0.57
Rot. Bonds5

About 4-(diethoxymethyl)-1,3-diselenole-2-selone

4-(diethoxymethyl)-1,3-diselenole-2-selone (PubChem CID 14947646) has the molecular formula C8H12O2Se3 and a molecular weight of 377.06 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1,3-diselenole-2-selone.

Molecular Properties

Compound Name4-(diethoxymethyl)-1,3-diselenole-2-selone
PubChem CID14947646
Molecular FormulaC8H12O2Se3
Molecular Weight377.06 g/mol
Exact Mass379.83
IUPAC Name4-(diethoxymethyl)-1,3-diselenole-2-selone
SMILESCCOC(OCC)c1c[se]c(=[Se])[se]1
InChIInChI=1S/C8H12O2Se3/c1-3-9-7(10-4-2)6-5-12-8(11)13-6/h5,7H,3-4H2,1-2H3
InChIKeyYVNHFKCVBYLQTD-UHFFFAOYSA-N
XLogP0.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1,3-diselenole-2-selone?
The IUPAC name of 4-(diethoxymethyl)-1,3-diselenole-2-selone (CID 14947646) is 4-(diethoxymethyl)-1,3-diselenole-2-selone.
What is the SMILES notation for 4-(diethoxymethyl)-1,3-diselenole-2-selone?
The canonical SMILES for 4-(diethoxymethyl)-1,3-diselenole-2-selone is CCOC(OCC)c1c[se]c(=[Se])[se]1.
What is the InChIKey of 4-(diethoxymethyl)-1,3-diselenole-2-selone?
The InChIKey is YVNHFKCVBYLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2Se3/c1-3-9-7(10-4-2)6-5-12-8(11)13-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-1,3-diselenole-2-selone?
4-(diethoxymethyl)-1,3-diselenole-2-selone has a molecular weight of 377.06 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1,3-diselenole-2-selone is sourced from PubChem (CID 14947646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).