5-(diselenolan-3-yl)pentanoic acid

C8H14O2Se2 — CID 10424854

IUPAC5-(diselenolan-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1CC[Se][Se]1
InChIInChI=1S/C8H14O2Se2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKeyUHXDQFCGWCHHSL-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.57
Rot. Bonds5

About 5-(diselenolan-3-yl)pentanoic acid

5-(diselenolan-3-yl)pentanoic acid (PubChem CID 10424854) has the molecular formula C8H14O2Se2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-(diselenolan-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(diselenolan-3-yl)pentanoic acid
PubChem CID10424854
Molecular FormulaC8H14O2Se2
Molecular Weight300.12 g/mol
Exact Mass301.93
IUPAC Name5-(diselenolan-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1CC[Se][Se]1
InChIInChI=1S/C8H14O2Se2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKeyUHXDQFCGWCHHSL-UHFFFAOYSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(diselenolan-3-yl)pentanoic acid 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-(diselenolan-3-yl)pentanoic acid?
The IUPAC name of 5-(diselenolan-3-yl)pentanoic acid (CID 10424854) is 5-(diselenolan-3-yl)pentanoic acid.
What is the SMILES notation for 5-(diselenolan-3-yl)pentanoic acid?
The canonical SMILES for 5-(diselenolan-3-yl)pentanoic acid is O=C(O)CCCCC1CC[Se][Se]1.
What is the InChIKey of 5-(diselenolan-3-yl)pentanoic acid?
The InChIKey is UHXDQFCGWCHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Se2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10).
What are the key properties of 5-(diselenolan-3-yl)pentanoic acid?
5-(diselenolan-3-yl)pentanoic acid has a molecular weight of 300.12 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diselenolan-3-yl)pentanoic acid is sourced from PubChem (CID 10424854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).