actinium;butane-1,1,4-triol

C4H10AcO3 — CID 22090838

IUPACactinium;butane-1,1,4-triol
SMILESOCCCC(O)O.[Ac]
InChIInChI=1S/C4H10O3.Ac/c5-3-1-2-4(6)7;/h4-7H,1-3H2;
InChIKeyQPPZTRPEBZIAGG-UHFFFAOYSA-N
MW333.12 g/mol
LogP-0.93
Rot. Bonds3

About actinium;butane-1,1,4-triol

actinium;butane-1,1,4-triol (PubChem CID 22090838) has the molecular formula C4H10AcO3 and a molecular weight of 333.12 g/mol. Its IUPAC name is actinium;butane-1,1,4-triol.

Molecular Properties

Compound Nameactinium;butane-1,1,4-triol
PubChem CID22090838
Molecular FormulaC4H10AcO3
Molecular Weight333.12 g/mol
Exact Mass333.09
IUPAC Nameactinium;butane-1,1,4-triol
SMILESOCCCC(O)O.[Ac]
InChIInChI=1S/C4H10O3.Ac/c5-3-1-2-4(6)7;/h4-7H,1-3H2;
InChIKeyQPPZTRPEBZIAGG-UHFFFAOYSA-N
XLogP-0.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze actinium;butane-1,1,4-triol 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 actinium;butane-1,1,4-triol?
The IUPAC name of actinium;butane-1,1,4-triol (CID 22090838) is actinium;butane-1,1,4-triol.
What is the SMILES notation for actinium;butane-1,1,4-triol?
The canonical SMILES for actinium;butane-1,1,4-triol is OCCCC(O)O.[Ac].
What is the InChIKey of actinium;butane-1,1,4-triol?
The InChIKey is QPPZTRPEBZIAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.Ac/c5-3-1-2-4(6)7;/h4-7H,1-3H2;.
What are the key properties of actinium;butane-1,1,4-triol?
actinium;butane-1,1,4-triol has a molecular weight of 333.12 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;butane-1,1,4-triol is sourced from PubChem (CID 22090838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).