1-oxaspiro[5.6]dodec-3-ene

C11H18O — CID 10899061

IUPAC1-oxaspiro[5.6]dodec-3-ene
SMILESC1=CCC2(CCCCCC2)OC1
InChIInChI=1S/C11H18O/c1-2-4-8-11(7-3-1)9-5-6-10-12-11/h5-6H,1-4,7-10H2
InChIKeyJAALECGXHMEKSN-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.06
Rot. Bonds

About 1-oxaspiro[5.6]dodec-3-ene

1-oxaspiro[5.6]dodec-3-ene (PubChem CID 10899061) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-oxaspiro[5.6]dodec-3-ene.

Molecular Properties

Compound Name1-oxaspiro[5.6]dodec-3-ene
PubChem CID10899061
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-oxaspiro[5.6]dodec-3-ene
SMILESC1=CCC2(CCCCCC2)OC1
InChIInChI=1S/C11H18O/c1-2-4-8-11(7-3-1)9-5-6-10-12-11/h5-6H,1-4,7-10H2
InChIKeyJAALECGXHMEKSN-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-oxaspiro[5.6]dodec-3-ene?
The IUPAC name of 1-oxaspiro[5.6]dodec-3-ene (CID 10899061) is 1-oxaspiro[5.6]dodec-3-ene.
What is the SMILES notation for 1-oxaspiro[5.6]dodec-3-ene?
The canonical SMILES for 1-oxaspiro[5.6]dodec-3-ene is C1=CCC2(CCCCCC2)OC1.
What is the InChIKey of 1-oxaspiro[5.6]dodec-3-ene?
The InChIKey is JAALECGXHMEKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-4-8-11(7-3-1)9-5-6-10-12-11/h5-6H,1-4,7-10H2.
What are the key properties of 1-oxaspiro[5.6]dodec-3-ene?
1-oxaspiro[5.6]dodec-3-ene has a molecular weight of 166.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.6]dodec-3-ene is sourced from PubChem (CID 10899061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).