(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione

C13H16O3 — CID 71106372

IUPAC(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione
SMILESC/C=C1/C(=O)C=CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H16O3/c1-2-10-11(14)6-9-13(16-12(10)15)7-4-3-5-8-13/h2,6,9H,3-5,7-8H2,1H3/b10-2-
InChIKeyXQDRDISDVHVDKD-SGAXSIHGSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds

About (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione

(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione (PubChem CID 71106372) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione.

Molecular Properties

Compound Name(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione
PubChem CID71106372
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione
SMILESC/C=C1/C(=O)C=CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H16O3/c1-2-10-11(14)6-9-13(16-12(10)15)7-4-3-5-8-13/h2,6,9H,3-5,7-8H2,1H3/b10-2-
InChIKeyXQDRDISDVHVDKD-SGAXSIHGSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione?
The IUPAC name of (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione (CID 71106372) is (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione.
What is the SMILES notation for (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione?
The canonical SMILES for (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione is C/C=C1/C(=O)C=CC2(CCCCC2)OC1=O.
What is the InChIKey of (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione?
The InChIKey is XQDRDISDVHVDKD-SGAXSIHGSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-10-11(14)6-9-13(16-12(10)15)7-4-3-5-8-13/h2,6,9H,3-5,7-8H2,1H3/b10-2-.
What are the key properties of (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione?
(9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione has a molecular weight of 220.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-ethylidene-7-oxaspiro[5.6]dodec-11-ene-8,10-dione is sourced from PubChem (CID 71106372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).