tricyclo[6.2.2.02,7]dodec-4-en-3-one

C12H16O — CID 123342410

IUPACtricyclo[6.2.2.02,7]dodec-4-en-3-one
SMILESO=C1C=CCC2C3CCC(CC3)C12
InChIInChI=1S/C12H16O/c13-11-3-1-2-10-8-4-6-9(7-5-8)12(10)11/h1,3,8-10,12H,2,4-7H2
InChIKeyNUUVUCIONOVKAJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds

About tricyclo[6.2.2.02,7]dodec-4-en-3-one

tricyclo[6.2.2.02,7]dodec-4-en-3-one (PubChem CID 123342410) 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-4-en-3-one.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodec-4-en-3-one
PubChem CID123342410
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nametricyclo[6.2.2.02,7]dodec-4-en-3-one
SMILESO=C1C=CCC2C3CCC(CC3)C12
InChIInChI=1S/C12H16O/c13-11-3-1-2-10-8-4-6-9(7-5-8)12(10)11/h1,3,8-10,12H,2,4-7H2
InChIKeyNUUVUCIONOVKAJ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodec-4-en-3-one?
The IUPAC name of tricyclo[6.2.2.02,7]dodec-4-en-3-one (CID 123342410) is tricyclo[6.2.2.02,7]dodec-4-en-3-one.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodec-4-en-3-one?
The canonical SMILES for tricyclo[6.2.2.02,7]dodec-4-en-3-one is O=C1C=CCC2C3CCC(CC3)C12.
What is the InChIKey of tricyclo[6.2.2.02,7]dodec-4-en-3-one?
The InChIKey is NUUVUCIONOVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-11-3-1-2-10-8-4-6-9(7-5-8)12(10)11/h1,3,8-10,12H,2,4-7H2.
What are the key properties of tricyclo[6.2.2.02,7]dodec-4-en-3-one?
tricyclo[6.2.2.02,7]dodec-4-en-3-one has a molecular weight of 176.26 g/mol, XLogP of 2.57, 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-4-en-3-one is sourced from PubChem (CID 123342410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).