actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol

C7H10AcO2 — CID 59046584

IUPACactinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1O2.[Ac]
InChIInChI=1S/C7H10O2.Ac/c8-4-5-3-6-1-2-7(5)9-6;/h1-2,5-8H,3-4H2;
InChIKeyZCHHAJQOBWUBJF-UHFFFAOYSA-N
MW353.16 g/mol
LogP0.32
Rot. Bonds1

About actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol

actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol (PubChem CID 59046584) has the molecular formula C7H10AcO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol.

Molecular Properties

Compound Nameactinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
PubChem CID59046584
Molecular FormulaC7H10AcO2
Molecular Weight353.16 g/mol
Exact Mass353.10
IUPAC Nameactinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1O2.[Ac]
InChIInChI=1S/C7H10O2.Ac/c8-4-5-3-6-1-2-7(5)9-6;/h1-2,5-8H,3-4H2;
InChIKeyZCHHAJQOBWUBJF-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol 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;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The IUPAC name of actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol (CID 59046584) is actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol.
What is the SMILES notation for actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The canonical SMILES for actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol is OCC1CC2C=CC1O2.[Ac].
What is the InChIKey of actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The InChIKey is ZCHHAJQOBWUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.Ac/c8-4-5-3-6-1-2-7(5)9-6;/h1-2,5-8H,3-4H2;.
What are the key properties of actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol?
actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol has a molecular weight of 353.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanol is sourced from PubChem (CID 59046584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).