tricyclo[4.3.3.01,6]dodec-3-ene

C12H18 — CID 14114531

IUPACtricyclo[4.3.3.01,6]dodec-3-ene
SMILESC1=CCC23CCCC2(C1)CCC3
InChIInChI=1S/C12H18/c1-2-6-12-9-3-7-11(12,5-1)8-4-10-12/h1-2H,3-10H2
InChIKeyYBDMYNOAXYVBJQ-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.68
Rot. Bonds

About tricyclo[4.3.3.01,6]dodec-3-ene

tricyclo[4.3.3.01,6]dodec-3-ene (PubChem CID 14114531) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is tricyclo[4.3.3.01,6]dodec-3-ene.

Molecular Properties

Compound Nametricyclo[4.3.3.01,6]dodec-3-ene
PubChem CID14114531
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Nametricyclo[4.3.3.01,6]dodec-3-ene
SMILESC1=CCC23CCCC2(C1)CCC3
InChIInChI=1S/C12H18/c1-2-6-12-9-3-7-11(12,5-1)8-4-10-12/h1-2H,3-10H2
InChIKeyYBDMYNOAXYVBJQ-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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[4.3.3.01,6]dodec-3-ene?
The IUPAC name of tricyclo[4.3.3.01,6]dodec-3-ene (CID 14114531) is tricyclo[4.3.3.01,6]dodec-3-ene.
What is the SMILES notation for tricyclo[4.3.3.01,6]dodec-3-ene?
The canonical SMILES for tricyclo[4.3.3.01,6]dodec-3-ene is C1=CCC23CCCC2(C1)CCC3.
What is the InChIKey of tricyclo[4.3.3.01,6]dodec-3-ene?
The InChIKey is YBDMYNOAXYVBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-6-12-9-3-7-11(12,5-1)8-4-10-12/h1-2H,3-10H2.
What are the key properties of tricyclo[4.3.3.01,6]dodec-3-ene?
tricyclo[4.3.3.01,6]dodec-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.3.01,6]dodec-3-ene is sourced from PubChem (CID 14114531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).