butane-2,3-diol;selenous acid

C4H12O5Se — CID 88680931

IUPACbutane-2,3-diol;selenous acid
SMILESCC(O)C(C)O.O=[Se](O)O
InChIInChI=1S/C4H10O2.H2O3Se/c1-3(5)4(2)6;1-4(2)3/h3-6H,1-2H3;(H2,1,2,3)
InChIKeyKZQBPIHOVKLGQH-UHFFFAOYSA-N
MW219.09 g/mol
LogP-1.87
Rot. Bonds1

About butane-2,3-diol;selenous acid

butane-2,3-diol;selenous acid (PubChem CID 88680931) has the molecular formula C4H12O5Se and a molecular weight of 219.09 g/mol. Its IUPAC name is butane-2,3-diol;selenous acid.

Molecular Properties

Compound Namebutane-2,3-diol;selenous acid
PubChem CID88680931
Molecular FormulaC4H12O5Se
Molecular Weight219.09 g/mol
Exact Mass219.98
IUPAC Namebutane-2,3-diol;selenous acid
SMILESCC(O)C(C)O.O=[Se](O)O
InChIInChI=1S/C4H10O2.H2O3Se/c1-3(5)4(2)6;1-4(2)3/h3-6H,1-2H3;(H2,1,2,3)
InChIKeyKZQBPIHOVKLGQH-UHFFFAOYSA-N
XLogP-1.87
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butane-2,3-diol;selenous 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 butane-2,3-diol;selenous acid?
The IUPAC name of butane-2,3-diol;selenous acid (CID 88680931) is butane-2,3-diol;selenous acid.
What is the SMILES notation for butane-2,3-diol;selenous acid?
The canonical SMILES for butane-2,3-diol;selenous acid is CC(O)C(C)O.O=[Se](O)O.
What is the InChIKey of butane-2,3-diol;selenous acid?
The InChIKey is KZQBPIHOVKLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.H2O3Se/c1-3(5)4(2)6;1-4(2)3/h3-6H,1-2H3;(H2,1,2,3).
What are the key properties of butane-2,3-diol;selenous acid?
butane-2,3-diol;selenous acid has a molecular weight of 219.09 g/mol, XLogP of -1.87, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol;selenous acid is sourced from PubChem (CID 88680931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).