9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C14H18 — CID 19872236

IUPAC9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H18/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,8-14H,1,5-7H2
InChIKeyAPQJRJLAJMKHPW-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.27
Rot. Bonds1

About 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 19872236) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID19872236
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H18/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,8-14H,1,5-7H2
InChIKeyAPQJRJLAJMKHPW-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.27
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 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 19872236) is 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C=CC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is APQJRJLAJMKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-8-5-11-7-12(8)14-10-4-3-9(6-10)13(11)14/h2-4,8-14H,1,5-7H2.
What are the key properties of 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 186.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 19872236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).