1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C15H22 — CID 54112928

IUPAC1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1CC2(C)CC1C1C2C2C=CC1(C)C2
InChIInChI=1S/C15H22/c1-9-6-15(3)8-11(9)13-12(15)10-4-5-14(13,2)7-10/h4-5,9-13H,6-8H2,1-3H3
InChIKeyNIILTOYPQYRSSP-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.88
Rot. Bonds

About 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 54112928) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID54112928
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1CC2(C)CC1C1C2C2C=CC1(C)C2
InChIInChI=1S/C15H22/c1-9-6-15(3)8-11(9)13-12(15)10-4-5-14(13,2)7-10/h4-5,9-13H,6-8H2,1-3H3
InChIKeyNIILTOYPQYRSSP-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 54112928) is 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is CC1CC2(C)CC1C1C2C2C=CC1(C)C2.
What is the InChIKey of 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is NIILTOYPQYRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-9-6-15(3)8-11(9)13-12(15)10-4-5-14(13,2)7-10/h4-5,9-13H,6-8H2,1-3H3.
What are the key properties of 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 202.34 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,9-trimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 54112928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).