3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene

C16H24 — CID 139619738

IUPAC3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene
SMILESCC1C2CC(C)(C3=C4CCC(C)(C4)C32)C1C
InChIInChI=1S/C16H24/c1-9-10(2)16(4)8-12(9)14-13(16)11-5-6-15(14,3)7-11/h9-10,12,14H,5-8H2,1-4H3
InChIKeyTWECQPLAKBWONN-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.41
Rot. Bonds

About 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene

3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene (PubChem CID 139619738) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene.

Molecular Properties

Compound Name3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene
PubChem CID139619738
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene
SMILESCC1C2CC(C)(C3=C4CCC(C)(C4)C32)C1C
InChIInChI=1S/C16H24/c1-9-10(2)16(4)8-12(9)14-13(16)11-5-6-15(14,3)7-11/h9-10,12,14H,5-8H2,1-4H3
InChIKeyTWECQPLAKBWONN-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
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 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The IUPAC name of 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene (CID 139619738) is 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene.
What is the SMILES notation for 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The canonical SMILES for 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene is CC1C2CC(C)(C3=C4CCC(C)(C4)C32)C1C.
What is the InChIKey of 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The InChIKey is TWECQPLAKBWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-9-10(2)16(4)8-12(9)14-13(16)11-5-6-15(14,3)7-11/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene has a molecular weight of 216.37 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 3,4,5,8-tetramethyltetracyclo[6.2.1.13,6.02,7]dodec-1-ene is sourced from PubChem (CID 139619738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).