1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene

C15H24 — CID 25203405

IUPAC1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene
SMILESCC1=CC2(C)CCC1CC1C(C)CCC12
InChIInChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3
InChIKeyXAAMMPKFMNZIIC-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene

1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene (PubChem CID 25203405) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene.

Molecular Properties

Compound Name1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene
PubChem CID25203405
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene
SMILESCC1=CC2(C)CCC1CC1C(C)CCC12
InChIInChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3
InChIKeyXAAMMPKFMNZIIC-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.41
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 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene?
The IUPAC name of 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene (CID 25203405) is 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene.
What is the SMILES notation for 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene?
The canonical SMILES for 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene is CC1=CC2(C)CCC1CC1C(C)CCC12.
What is the InChIKey of 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene?
The InChIKey is XAAMMPKFMNZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3.
What are the key properties of 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene?
1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene is sourced from PubChem (CID 25203405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).