4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene

C15H24O — CID 573697

IUPAC4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene
SMILESCC1=C2CCC3(C)OC3C2C(C)(C)CCC1
InChIInChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h12-13H,5-9H2,1-4H3
InChIKeyGUMYGCGJGNRHGS-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds

About 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene

4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene (PubChem CID 573697) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene.

Molecular Properties

Compound Name4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene
PubChem CID573697
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene
SMILESCC1=C2CCC3(C)OC3C2C(C)(C)CCC1
InChIInChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h12-13H,5-9H2,1-4H3
InChIKeyGUMYGCGJGNRHGS-UHFFFAOYSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene?
The IUPAC name of 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene (CID 573697) is 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene.
What is the SMILES notation for 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene?
The canonical SMILES for 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene is CC1=C2CCC3(C)OC3C2C(C)(C)CCC1.
What is the InChIKey of 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene?
The InChIKey is GUMYGCGJGNRHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h12-13H,5-9H2,1-4H3.
What are the key properties of 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene?
4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene has a molecular weight of 220.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12,12-tetramethyl-3-oxatricyclo[5.5.0.02,4]dodec-7-ene is sourced from PubChem (CID 573697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).