actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one

C12H16AcO3 — CID 18345688

IUPACactinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one
SMILESO=C1OCCC1C(O)C1CC2C=CC1C2.[Ac]
InChIInChI=1S/C12H16O3.Ac/c13-11(9-3-4-15-12(9)14)10-6-7-1-2-8(10)5-7;/h1-2,7-11,13H,3-6H2;
InChIKeyOLWLSXZPCDXKNH-UHFFFAOYSA-N
MW435.26 g/mol
LogP1.12
Rot. Bonds2

About actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one

actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one (PubChem CID 18345688) has the molecular formula C12H16AcO3 and a molecular weight of 435.26 g/mol. Its IUPAC name is actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one.

Molecular Properties

Compound Nameactinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one
PubChem CID18345688
Molecular FormulaC12H16AcO3
Molecular Weight435.26 g/mol
Exact Mass435.14
IUPAC Nameactinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one
SMILESO=C1OCCC1C(O)C1CC2C=CC1C2.[Ac]
InChIInChI=1S/C12H16O3.Ac/c13-11(9-3-4-15-12(9)14)10-6-7-1-2-8(10)5-7;/h1-2,7-11,13H,3-6H2;
InChIKeyOLWLSXZPCDXKNH-UHFFFAOYSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one?
The IUPAC name of actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one (CID 18345688) is actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one.
What is the SMILES notation for actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one?
The canonical SMILES for actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one is O=C1OCCC1C(O)C1CC2C=CC1C2.[Ac].
What is the InChIKey of actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one?
The InChIKey is OLWLSXZPCDXKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.Ac/c13-11(9-3-4-15-12(9)14)10-6-7-1-2-8(10)5-7;/h1-2,7-11,13H,3-6H2;.
What are the key properties of actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one?
actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one has a molecular weight of 435.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-[2-bicyclo[2.2.1]hept-5-enyl(hydroxy)methyl]oxolan-2-one is sourced from PubChem (CID 18345688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).