spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione

C11H12O3 — CID 58580309

IUPACspiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
SMILESO=C1OC(=O)C2C1C1CCC2C12CC2
InChIInChI=1S/C11H12O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h5-8H,1-4H2
InChIKeyFJWIIGXUELDWEY-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.12
Rot. Bonds

About spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione

spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione (PubChem CID 58580309) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione.

Molecular Properties

Compound Namespiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
PubChem CID58580309
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namespiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
SMILESO=C1OC(=O)C2C1C1CCC2C12CC2
InChIInChI=1S/C11H12O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h5-8H,1-4H2
InChIKeyFJWIIGXUELDWEY-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The IUPAC name of spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione (CID 58580309) is spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione.
What is the SMILES notation for spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The canonical SMILES for spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione is O=C1OC(=O)C2C1C1CCC2C12CC2.
What is the InChIKey of spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
The InChIKey is FJWIIGXUELDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h5-8H,1-4H2.
What are the key properties of spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione?
spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione has a molecular weight of 192.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione is sourced from PubChem (CID 58580309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).