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

C14H20 — CID 22480581

IUPAC1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC12C=CC(C1)C1C2C2CCC1(C)C2
InChIInChI=1S/C14H20/c1-13-5-3-9(7-13)12-11(13)10-4-6-14(12,2)8-10/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyNBKJXSOLTZBYNA-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.63
Rot. Bonds

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

1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 22480581) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID22480581
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC12C=CC(C1)C1C2C2CCC1(C)C2
InChIInChI=1S/C14H20/c1-13-5-3-9(7-13)12-11(13)10-4-6-14(12,2)8-10/h3,5,9-12H,4,6-8H2,1-2H3
InChIKeyNBKJXSOLTZBYNA-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.63
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 1,6-dimethyltetracyclo[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 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 22480581) is 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is CC12C=CC(C1)C1C2C2CCC1(C)C2.
What is the InChIKey of 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is NBKJXSOLTZBYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-13-5-3-9(7-13)12-11(13)10-4-6-14(12,2)8-10/h3,5,9-12H,4,6-8H2,1-2H3.
What are the key properties of 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 188.31 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 22480581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).