tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one

C12H16O — CID 71406170

IUPACtricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
SMILESO=C1CC2CCC1C1=C2CCCC1
InChIInChI=1S/C12H16O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h8,11H,1-7H2
InChIKeyIQWNLONYRKCDHE-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds

About tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one

tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one (PubChem CID 71406170) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
PubChem CID71406170
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nametricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
SMILESO=C1CC2CCC1C1=C2CCCC1
InChIInChI=1S/C12H16O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h8,11H,1-7H2
InChIKeyIQWNLONYRKCDHE-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
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 tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The IUPAC name of tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one (CID 71406170) is tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The canonical SMILES for tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one is O=C1CC2CCC1C1=C2CCCC1.
What is the InChIKey of tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
The InChIKey is IQWNLONYRKCDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h8,11H,1-7H2.
What are the key properties of tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one?
tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one has a molecular weight of 176.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one is sourced from PubChem (CID 71406170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).