spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione

C12H12O3 — CID 144508857

IUPACspiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione
SMILESO=C1OC(=O)C2C1C1CCC13C2C31CC1
InChIInChI=1S/C12H12O3/c13-9-6-5-1-2-12(5)8(11(12)3-4-11)7(6)10(14)15-9/h5-8H,1-4H2
InChIKeyBKBSYBZICOLGIZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.12
Rot. Bonds

About spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione

spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione (PubChem CID 144508857) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione.

Molecular Properties

Compound Namespiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione
PubChem CID144508857
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namespiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione
SMILESO=C1OC(=O)C2C1C1CCC13C2C31CC1
InChIInChI=1S/C12H12O3/c13-9-6-5-1-2-12(5)8(11(12)3-4-11)7(6)10(14)15-9/h5-8H,1-4H2
InChIKeyBKBSYBZICOLGIZ-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
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[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione?
The IUPAC name of spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione (CID 144508857) is spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione.
What is the SMILES notation for spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione?
The canonical SMILES for spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione is O=C1OC(=O)C2C1C1CCC13C2C31CC1.
What is the InChIKey of spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione?
The InChIKey is BKBSYBZICOLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-9-6-5-1-2-12(5)8(11(12)3-4-11)7(6)10(14)15-9/h5-8H,1-4H2.
What are the key properties of spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione?
spiro[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione has a molecular weight of 204.22 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[10-oxatetracyclo[6.3.0.02,4.04,7]undecane-3,1'-cyclopropane]-9,11-dione is sourced from PubChem (CID 144508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).