9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C15H20 — CID 19872230

IUPAC9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20/c1-2-3-9-6-12-8-13(9)15-11-5-4-10(7-11)14(12)15/h2,4-5,9-15H,1,3,6-8H2
InChIKeyHQCUYSQWTZERSI-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.66
Rot. Bonds2

About 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 19872230) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID19872230
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=CCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20/c1-2-3-9-6-12-8-13(9)15-11-5-4-10(7-11)14(12)15/h2,4-5,9-15H,1,3,6-8H2
InChIKeyHQCUYSQWTZERSI-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.66
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'}

Analyze 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 19872230) is 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C=CCC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is HQCUYSQWTZERSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-3-9-6-12-8-13(9)15-11-5-4-10(7-11)14(12)15/h2,4-5,9-15H,1,3,6-8H2.
What are the key properties of 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 200.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 19872230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).