5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione

C11H14O4 — CID 20789697

IUPAC5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
SMILESCC1C2CC3(CC(=O)OC3=O)C(O2)C1C
InChIInChI=1S/C11H14O4/c1-5-6(2)9-11(3-7(5)14-9)4-8(12)15-10(11)13/h5-7,9H,3-4H2,1-2H3
InChIKeyVYDHWIBGZZHFFJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.89
Rot. Bonds

About 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione

5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione (PubChem CID 20789697) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione.

Molecular Properties

Compound Name5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
PubChem CID20789697
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
SMILESCC1C2CC3(CC(=O)OC3=O)C(O2)C1C
InChIInChI=1S/C11H14O4/c1-5-6(2)9-11(3-7(5)14-9)4-8(12)15-10(11)13/h5-7,9H,3-4H2,1-2H3
InChIKeyVYDHWIBGZZHFFJ-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione 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 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione?
The IUPAC name of 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione (CID 20789697) is 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione.
What is the SMILES notation for 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione?
The canonical SMILES for 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione is CC1C2CC3(CC(=O)OC3=O)C(O2)C1C.
What is the InChIKey of 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione?
The InChIKey is VYDHWIBGZZHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-6(2)9-11(3-7(5)14-9)4-8(12)15-10(11)13/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione?
5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione has a molecular weight of 210.23 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione is sourced from PubChem (CID 20789697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).