7-oxaspiro[5.6]dodec-9-en-5-one

C11H16O2 — CID 131481474

IUPAC7-oxaspiro[5.6]dodec-9-en-5-one
SMILESO=C1CCCCC12CCC=CCO2
InChIInChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2
InChIKeyMJWHJSKLAJAAAQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds

About 7-oxaspiro[5.6]dodec-9-en-5-one

7-oxaspiro[5.6]dodec-9-en-5-one (PubChem CID 131481474) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-oxaspiro[5.6]dodec-9-en-5-one.

Molecular Properties

Compound Name7-oxaspiro[5.6]dodec-9-en-5-one
PubChem CID131481474
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name7-oxaspiro[5.6]dodec-9-en-5-one
SMILESO=C1CCCCC12CCC=CCO2
InChIInChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2
InChIKeyMJWHJSKLAJAAAQ-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[5.6]dodec-9-en-5-one?
The IUPAC name of 7-oxaspiro[5.6]dodec-9-en-5-one (CID 131481474) is 7-oxaspiro[5.6]dodec-9-en-5-one.
What is the SMILES notation for 7-oxaspiro[5.6]dodec-9-en-5-one?
The canonical SMILES for 7-oxaspiro[5.6]dodec-9-en-5-one is O=C1CCCCC12CCC=CCO2.
What is the InChIKey of 7-oxaspiro[5.6]dodec-9-en-5-one?
The InChIKey is MJWHJSKLAJAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2.
What are the key properties of 7-oxaspiro[5.6]dodec-9-en-5-one?
7-oxaspiro[5.6]dodec-9-en-5-one has a molecular weight of 180.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[5.6]dodec-9-en-5-one is sourced from PubChem (CID 131481474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).