spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one

C10H12O3 — CID 58609533

IUPACspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one
SMILESO=C1CC2(OCCO2)C2C=CC1C2
InChIInChI=1S/C10H12O3/c11-9-6-10(12-3-4-13-10)8-2-1-7(9)5-8/h1-2,7-8H,3-6H2
InChIKeyQSIRYQCBLWBOMX-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.89
Rot. Bonds

About spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one

spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one (PubChem CID 58609533) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one
PubChem CID58609533
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namespiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one
SMILESO=C1CC2(OCCO2)C2C=CC1C2
InChIInChI=1S/C10H12O3/c11-9-6-10(12-3-4-13-10)8-2-1-7(9)5-8/h1-2,7-8H,3-6H2
InChIKeyQSIRYQCBLWBOMX-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one 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 spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one (CID 58609533) is spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one is O=C1CC2(OCCO2)C2C=CC1C2.
What is the InChIKey of spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one?
The InChIKey is QSIRYQCBLWBOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-9-6-10(12-3-4-13-10)8-2-1-7(9)5-8/h1-2,7-8H,3-6H2.
What are the key properties of spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one?
spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one has a molecular weight of 180.20 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]oct-6-ene]-2'-one is sourced from PubChem (CID 58609533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).